SCHEMBL8401331

SCHEMBL8401331

Cc1ccc2c(c1)N(CC(N)=O)C(=O)C(N(C(N)=O)c1cccc(-c3nnn[nH]3)c1)CC2Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.42
CCKAR P32238 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CES2 O00748 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8398505 0.89 CCKBR (0.41) CCKBR
SCHEMBL8399465 0.88 CCKBR (0.43) CCKBRCCKAR
SCHEMBL8398474 0.86 CCKBR (0.34) CCKBRLMNANPSR1
SCHEMBL8398988 0.86 CCKBR (0.41) CCKBR
SCHEMBL8403199 0.84 CCKBR (0.42) CCKBRLMNANPSR1
SCHEMBL8401333 0.81 CCKBR (0.65) CCKBR
SCHEMBL8399005 0.77 CCKBR (0.37) CCKBR
SCHEMBL8401329 0.75 CCKBR (0.40) CCKBRMEN1KMT2A
SCHEMBL8402444 0.74 CCKBR (0.49) CCKBRMEN1KMT2A
SCHEMBL8403211 0.74 CCKBR (0.49) CCKBRMEN1KMT2A

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