SCHEMBL8922427

SCHEMBL8922427

COc1ccccc1NC(=O)NC1CC(c2ccccc2)CC(c2ccc(C(F)(F)F)cc2)N(NC(=O)CC(C)(C)C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.45
CCR3 P51677 2/20 0.40
FPR2 P25090 1/20 0.39
CHIT1 Q13231 1/20 0.38

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
SCHEMBL8920626 0.93 CCKBR (0.52) CCKBR
SCHEMBL8922472 0.91 CCKBR (0.47) CCKBR
SCHEMBL8920325 0.89 CCKBR (0.47) CCKBR
SCHEMBL8921243 0.89 CCKBR (0.54) CCKBR
SCHEMBL8922642 0.88 CCKBR (0.56) CCKBR
SCHEMBL8921193 0.88 CCKBR (0.48) CCKBR
SCHEMBL8920907 0.85 CCKBR (0.56) CCKBRFPR2
SCHEMBL8919501 0.83 CCKBR (0.53) CCKBR
SCHEMBL8921420 0.83 CCKBR (0.52) CCKBR
SCHEMBL8923543 0.82 CCKBR (0.63) 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