On Target AMPN_HUMAN 0.2815534/CHEMBL1160959
For the given ligand aprepitant, we have found in our database that, being scored 0.2815534, the most similar ligand is CHEMBL1160959. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL1160959 (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 | CSCC[C@H](N)CSSC[C@@H](Cc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)OCc3ccccc3 |
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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 | 00000808 c0005218 60100100 c0110740 00000090 00004100 00000000 20000004 04000980 000848c0 08301000 4800b000 06018006 00050000 80081008 020c1008 14020000 02000000 00400008 004c3201 60000160 18200e20 13000740 81400018 00000c00 80802000 00880400 10000001 04000200 0006803b 60004000 03412600 |