SCHEMBL8398586

SCHEMBL8398586

Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)C(N(C(N)=O)c1cccc(C(=O)O)c1)CC2C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.65

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
SCHEMBL8399432 0.90 CCKBR (0.51) CCKBR
SCHEMBL8913795 0.90 CCKBR (0.51) CCKBR
SCHEMBL8922722 0.88 CCKBR (0.55) CCKBR
SCHEMBL8402077 0.86 CCKBR (0.64) CCKBR
SCHEMBL8403003 0.83 CCKBR (0.48) CCKBR
Potassium Ion SCHEMBL8400982 0.83 CCKBR (0.43) CCKBR
SCHEMBL8402155 0.80 CCKBR (0.65) CCKBR
SCHEMBL8920118 0.80 CCKBR (0.57) CCKBR
SCHEMBL8401026 0.79 CCKBR (0.64) CCKBR
SCHEMBL8398590 0.79 CCKBR (1.00) 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