SCHEMBL8914538

SCHEMBL8914538

COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(CC(=O)NC(C)(C)C)C(=O)[C@H](N(C(N)=O)c2cccc(N(C=O)S(C)(=O)=O)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.53

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
SCHEMBL8398456 0.91 CCKBR (0.52) CCKBR
SCHEMBL8398547 0.87 CCKBR (0.58) CCKBR
SCHEMBL8398544 0.87 CCKBR (0.58) CCKBR
SCHEMBL8912174 0.87 CCKBR (0.58) CCKBR
SCHEMBL8558932 0.86 CCKBR (0.57) CCKBR
SCHEMBL8558934 0.86 CCKBR (0.57) CCKBR
SCHEMBL8398667 0.81 CCKBR (0.52) CCKBR
SCHEMBL8921102 0.80 CCKBR (0.51) CCKBR
SCHEMBL8920293 0.79 CCKBR (0.53) CCKBR
SCHEMBL8912667 0.78 CCKBR (0.55) CCKBR

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
US-5618811-A Tetrahydro-1H-benzazepinones and hexahydroazepinones as selective cholecystokinin-B receptor antagonists PFIZER INC. (US) 1997-04-08 US disclosed