On Target MSHR_HUMAN 0.3448276/CHEMBL380437
For the given ligand Aprepitant, we have found in our database that, being scored 0.3448276, the most similar ligand is CHEMBL380437. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL380437 (Similar Ligand) |
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| C[C@@H](O[C@H]2OCCN(Cc1nc(=O)[nH][nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4 | NC(=N)NCCC[C@H]1C[C@H](CN1C(=O)[C@H](CC[C@H]2Cc3ccccc3CN2)Cc4ccccc4)OCc5ccccc5 |
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| 00000018 000d0008 40100100 82010e00 090000d1 00104014 00801c00 0a003441 04200900 00180870 0c211020 44008802 00008802 01011000 00261408 0228210c 18008040 02000182 04400000 40300000 00010020 08008030 33000000 00400010 10000400 c0002400 00080000 b4020001 00008306 00068002 c4540084 02002600 | 00010008 01005200 00100102 90010f00 000800b0 00004010 00000000 22003000 00200b80 000808c2 08301000 40039000 0400981a 00a90000 00081428 021c1008 10a00000 02000020 00c02008 00000201 00020120 18358630 13004080 81500018 00000c01 c0002001 40884000 90000001 04000312 0086000b e00e0000 02002600 |