On Target 5HT6R_HUMAN 0.2986111/CHEMBL900
For the given ligand Aprepitant, we have found in our database that, being scored 0.2986111, the most similar ligand is CHEMBL900. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL900 (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 | CN(C)CCOC(c1ccccc1)c2ccccc2C |
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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 | 00000000 00000000 00000100 80010600 00000090 00004000 00100400 01000000 00000100 00080840 08201000 40008800 00000000 00210000 00001008 02080008 00000000 02000000 00000000 00000000 00000000 08000020 12004000 00400010 00000400 a0002000 00080000 40000000 02000281 00060002 40000000 00000600 |