SCHEMBL8920740

SCHEMBL8920740

CC(=O)N(N1C(=O)C(Br)CC(c2ccccc2)CC1c1ccccc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.36
RIPK1 Q13546 11/20 0.36
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL8920511 0.87 CCKBR (0.35) CCKBRRIPK1SIGMAR1
SCHEMBL8922688 0.83 CCKBR (0.41) CCKBRRIPK1
SCHEMBL8922202 0.82 CCKBR (0.41) CCKBRSLC18A3SIGMAR1
SCHEMBL9365827 0.82 CCKBR (0.36) CCKBRRIPK1
SCHEMBL8920125 0.80 HSD11B1 (0.37) CCKBR
SCHEMBL8924408 0.79 CCKBR (0.43) CCKBRRIPK1
SCHEMBL8922537 0.79 CCKBR (0.44) CCKBR
SCHEMBL9362066 0.79 CCKBR (0.44) CCKBR
SCHEMBL8919345 0.78 CCKBR (0.55) CCKBR
SCHEMBL8919498 0.78 CCKBR (0.49) 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