SCHEMBL8399460

SCHEMBL8399460

Cc1ccc2c(c1)N(CC(N)=O)C(=O)C(N(C(N)=O)c1ccccc1-n1ncnn1)CC2CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.38
CCKAR P32238 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
OXTR P30559 1/20 0.30

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
SCHEMBL8403197 0.90 CCKBR (0.39) CCKBRCCKARALDH1A1GAA
SCHEMBL8401329 0.88 CCKBR (0.40) CCKBR
SCHEMBL8398983 0.84 CCKBR (0.37) CCKBR
SCHEMBL8399272 0.84 CCKBR (0.37) CCKBR
SCHEMBL8402097 0.84 CCKBR (0.38) CCKBR
SCHEMBL8398473 0.84 CCKBR (0.32) CCKBR
SCHEMBL8402177 0.76 CCKBR (0.48) CCKBR
SCHEMBL8401313 0.76 CCKBR (0.40) CCKBR
SCHEMBL8399465 0.76 CCKBR (0.43) CCKBRCCKAR
SCHEMBL8403258 0.75 CCKBR (0.44) 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 2 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-5618811-A Tetrahydro-1H-benzazepinones and hexahydroazepinones as selective cholecystokinin-B receptor antagonists PFIZER INC. (US) 1997-04-08 US disclosed