SCHEMBL8401370

SCHEMBL8401370

Cc1ccc2c(c1)N(CC(N)=O)C(=O)C(Br)CC2c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.48

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
SCHEMBL8912603 0.93 CCKBR (0.46) CCKBR
SCHEMBL8921634 0.91 CCKBR (0.47) CCKBR
SCHEMBL8398546 0.89 CCKBR (0.48) CCKBR
SCHEMBL8402240 0.88 CYP2C19 (0.41) CCKBR
SCHEMBL8399132 0.87 CCKBR (0.50) CCKBR
SCHEMBL8919363 0.87 CCKBR (0.48) CCKBR
SCHEMBL9366810 0.86 CYP2C19 (0.47) CCKBR
SCHEMBL8403211 0.83 CCKBR (0.49) CCKBR
SCHEMBL8913293 0.82 CCKBR (0.46) CCKBR
SCHEMBL8922827 0.81 CCKBR (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711283-B1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER (US) 1999-06-16 EP disclosed
US-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
US-5618811-A Tetrahydro-1H-benzazepinones and hexahydroazepinones as selective cholecystokinin-B receptor antagonists PFIZER INC. (US) 1997-04-08 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