On Target TNFA_HUMAN 0.2849162/CHEMBL1569174
For the given ligand aprepitant, we have found in our database that, being scored 0.2849162, the most similar ligand is CHEMBL1569174. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL1569174 (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 | CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 |
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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 | 0000400a 00000800 00100100 d0090600 00000030 00004000 00000000 02001000 00000180 00080840 08280004 4000c000 80008882 00318000 00000440 02080008 00062200 02000020 08000000 00000200 40120000 18228e20 20016000 81400014 00000400 c0002000 00084000 80000080 04008300 00060003 e0040000 00000600 |