SCHEMBL8892719

SCHEMBL8892719

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NMBR P28336 12/20 0.53
GRPR P30550 11/20 0.52
FPR2 P25090 1/20 0.44
CCKBR P32239 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
SCHEMBL8892713 1.00 NMBR (0.53) NMBRGRPRFPR2CCKBR
SCHEMBL8901324 0.91 NMBR (0.55) NMBRGRPRCCKBR
SCHEMBL8901328 0.91 NMBR (0.55) NMBRGRPRCCKBR
SCHEMBL28360002 0.80 TACR1 (0.49) NMBRCCKBR
SCHEMBL30060549 0.80 TACR1 (0.49) NMBRCCKBR
SCHEMBL9085407 0.78 NMBR (0.72) NMBRGRPR
SCHEMBL8699599 0.77 KMT2A (0.63) FPR2
SCHEMBL9377089 0.77 NMBR (0.61) NMBRGRPRCCKBR
SCHEMBL15145375 0.74 NMBR (0.48) NMBRCCKBR
SCHEMBL14595065 0.72 KDM4E (0.55) NMBR

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