On Target TSHR_HUMAN 0.26940638/CHEMBL1708839
For the given ligand Aprepitant, we have found in our database that, being scored 0.26940638, the most similar ligand is CHEMBL1708839. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1708839 (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 | COc1ccc(cc1COc2ccc(NC(=O)C)cc2)C3Nc4cccc(F)c4C(=O)N3Cc5ccccc5 |
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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 | 14004186 00800808 20100108 02010e00 00001001 40114052 12040004 02003809 0c800100 20004840 41280004 6000c000 00818862 00111000 01020441 02082008 02046a00 03400022 08000000 40820801 c0100100 08038620 20032000 20c4101c 00100000 c0002000 08260000 80001081 00008300 00068001 c0044004 c0004201 |