SCHEMBL8913293

SCHEMBL8913293

Cc1ccc(C2CC(N)C(=O)N(CC(N)=O)c3cc(C)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.46
AADAT Q8N5Z0 1/20 0.38
RAB9A P51151 1/20 0.36

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
SCHEMBL8398546 0.93 CCKBR (0.48) CCKBR
SCHEMBL9541664 0.89 CCKBR (0.48) CCKBR
SCHEMBL8912603 0.89 CCKBR (0.46) CCKBRRAB9A
SCHEMBL8398551 0.86 CYP2C19 (0.41) CCKBRAADAT
SCHEMBL9544058 0.84 CCKBR (0.47) CCKBRAADAT
SCHEMBL8401370 0.82 CCKBR (0.48) CCKBR
SCHEMBL8402227 0.82 CCKBR (0.46) CCKBRAADATRAB9A
SCHEMBL8402157 0.81 CCKBR (0.50) CCKBR
SCHEMBL8402111 0.79 CCKBR (0.65) CCKBR
SCHEMBL8398527 0.79 CCKBR (0.48) CCKBRAADATRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618811-A Tetrahydro-1H-benzazepinones and hexahydroazepinones as selective cholecystokinin-B receptor antagonists PFIZER INC. (US) 1997-04-08 US disclosed