On Target PTAFR_HUMAN 0.36842105/CHEMBL37358
For the given ligand Aprepitant, we have found in our database that, being scored 0.36842105, the most similar ligand is CHEMBL37358. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL37358 (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 | Cc1nc2cnccc2n1CCCOC3CCC(O3)c4ccc(F)cc4 |
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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 | 0000004a 01800000 00104102 12010700 082c0070 0000c010 00009800 08000000 10600900 008818e0 0d10800c 40018000 00001800 00a91000 000e0080 022c100c 08a00000 02000280 10e08000 00100001 c0000120 18008070 21800041 00400010 00000400 c0002000 00088200 34000001 00000204 00468802 40480000 02000680 |