On Target GRM4_HUMAN 0.26256984/CHEMBL3609737
For the given ligand Aprepitant, we have found in our database that, being scored 0.26256984, the most similar ligand is CHEMBL3609737. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3609737 (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 | Fc1ccc(NC(=O)c2ccccn2)cc1C#N |
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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 | 00004002 00200800 40104100 12010e00 050e0020 00100010 00000000 02001001 00000000 00820850 00290004 4000c000 00008800 00101000 00020040 02040104 00440200 02000000 08e00000 00200000 40100000 08028600 20812400 00400004 00140000 80000001 00000040 80000081 00408104 00068401 80040000 00004200 |