SCHEMBL8920019

SCHEMBL8920019

COc1ccc2c(c1)C(c1ccccc1)CC(NC(=O)Nc1ccc(C)cc1)C(=O)N2CC(=O)NC(C)(C)C

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.80

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
SCHEMBL8921636 0.94 CCKBR (0.80) CCKBR
SCHEMBL8920027 0.93 CCKBR (0.82) CCKBR
SCHEMBL8923724 0.91 CCKBR (0.86) CCKBR
SCHEMBL8920715 0.89 CCKBR (0.84) CCKBR
SCHEMBL8922429 0.89 CCKBR (0.82) CCKBR
SCHEMBL8921231 0.89 CCKBR (1.00) CCKBR
SCHEMBL8921642 0.88 CCKBR (0.80) CCKBR
SCHEMBL8920129 0.87 CCKBR (0.87) CCKBR
SCHEMBL8921638 0.87 CCKBR (0.83) CCKBR
SCHEMBL8920915 0.87 CCKBR (0.90) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed