SCHEMBL6178208

SCHEMBL6178208

O=C(O)NC(Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NC1CCc2n[nH]cc2C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 5/20 0.43
TACR1 P25103 3/20 0.40
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.38
BIRC2 Q13490 1/20 0.36
PRCP P42785 1/20 0.36
TRHR P34981 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6093203 1.00 XIAP (0.43) XIAPTACR1TAAR1TSHRBIRC2
SCHEMBL6094570 0.89 XIAP (0.49) XIAPTACR1
SCHEMBL6179716 0.89 DPP4 (0.41) XIAP
SCHEMBL6093180 0.88 TAAR1 (0.41) XIAPTACR1TAAR1TSHRBIRC2
Hydrochloric Acid SCHEMBL6196562 0.88 DPP4 (0.42) XIAP
Hydrochloric Acid SCHEMBL6094296 0.88 DPP4 (0.42) XIAP
SCHEMBL6178779 0.85 TACR1 (0.38) XIAPTACR1TAAR1
SCHEMBL6093274 0.85 XIAP (0.40) XIAPTACR1TAAR1TSHRBIRC2
SCHEMBL6095893 0.82 SCN4A (0.53) XIAPTACR1TAAR1
SCHEMBL6095928 0.78 XIAP (0.46) XIAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed