SCHEMBL8901328

SCHEMBL8901328

CC(Cc1c[nH]c2ccccc12)(NC(=O)CC1(c2ccccc2)CCCC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMBR P28336 17/20 0.55
GRPR P30550 15/20 0.54
CCKBR P32239 1/20 0.44
FPR1 P21462 1/20 0.43
AGTR1 P30556 1/20 0.43
GPR65 Q8IYL9 1/20 0.43

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
SCHEMBL8901324 1.00 NMBR (0.55) NMBRGRPRCCKBRFPR1AGTR1
SCHEMBL8892719 0.91 NMBR (0.53) NMBRGRPRCCKBR
SCHEMBL8892713 0.91 NMBR (0.53) NMBRGRPRCCKBR
SCHEMBL6306355 0.81 CCKBR (0.51) NMBRCCKBR
SCHEMBL6306358 0.81 CCKBR (0.51) NMBRCCKBR
SCHEMBL9085407 0.80 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL9377089 0.79 NMBR (0.61) NMBRGRPRCCKBR
SCHEMBL22835926 0.75 NMBR (0.53) NMBRCCKBR
SCHEMBL8699599 0.75 KMT2A (0.63) FPR1
SCHEMBL6339800 0.74 MAPT (0.52) NMBRCCKBR

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
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed