SCHEMBL8797803

SCHEMBL8797803

COc1ccc(N(C(=O)CN2C(=O)C(NC(=O)Nc3ccccc3)N=C(c3cccnc3)c3ccccc32)C(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.60
CCKAR P32238 2/20 0.58

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
SCHEMBL8795334 0.88 SENP1 (0.54) CCKBRCCKAR
SCHEMBL8704960 0.87 CCKBR (0.67) CCKBRCCKAR
Bromide SCHEMBL8795680 0.84 CCKAR (0.45) CCKBRCCKAR
SCHEMBL8401977 0.80 CCKAR (0.86) CCKBRCCKAR
SCHEMBL8797035 0.77 CCKAR (0.50) CCKBRCCKAR
SCHEMBL8797539 0.77 CCKAR (0.50) CCKBRCCKAR
SCHEMBL9842427 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8401926 0.75 CCKAR (0.77) CCKBRCCKAR
SCHEMBL1574154 0.74 CCKAR (0.76) CCKBRCCKAR
SCHEMBL9232817 0.74 CYP3A4 (0.78) CCKBRCCKAR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP claimed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO claimed