SCHEMBL8403258

SCHEMBL8403258

Cc1ccc2c(c1)N(CC(N)=O)C(=O)C(N)CC2CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.44
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
AADAT Q8N5Z0 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PAX8 Q06710 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 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
SCHEMBL8402057 0.90 CCKBR (0.44) CCKBROPRM1OPRD1OPRK1OPRL1
SCHEMBL8398527 0.83 CCKBR (0.48) CCKBROPRM1OPRD1OPRK1OPRL1
SCHEMBL8402444 0.80 CCKBR (0.49) CCKBRMEN1KMT2AL3MBTL1
SCHEMBL8913293 0.78 CCKBR (0.46) CCKBRAADATRAB9A
SCHEMBL8402227 0.78 CCKBR (0.46) CCKBRAADATMEN1KMT2AKDM4C
SCHEMBL8398546 0.76 CCKBR (0.48) CCKBR
SCHEMBL8399460 0.75 CCKBR (0.38) CCKBR
SCHEMBL8398534 0.75 CCKBR (0.48) CCKBROPRM1OPRD1OPRK1OPRL1
SCHEMBL8398551 0.75 CYP2C19 (0.41) CCKBRAADATTSHR
SCHEMBL8399465 0.74 CCKBR (0.43) 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