SCHEMBL7949812

SCHEMBL7949812

Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@@H](N(C(N)=O)c1cccc(O)c1)N=C2c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.58
CCKAR P32238 4/20 0.34
GRIN2B Q13224 3/20 0.33
GRIN1 Q05586 1/20 0.31
USP19 O94966 1/20 0.31

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
SCHEMBL7949811 1.00 CCKBR (0.58) CCKBRCCKARGRIN2BGRIN1USP19
SCHEMBL8775405 0.90 CCKBR (0.54) CCKBRCCKAR
SCHEMBL8774718 0.83 CCKBR (0.55) CCKBRCCKAR
SCHEMBL8774726 0.83 CCKBR (0.55) CCKBRCCKAR
SCHEMBL8774491 0.82 CCKBR (0.54) CCKBRCCKAR
SCHEMBL8774501 0.82 CCKBR (0.54) CCKBRCCKAR
SCHEMBL8779912 0.82 CCKBR (0.54) CCKBRCCKAR
SCHEMBL7544649 0.81 CCKBR (0.67) CCKBRCCKARGRIN2B
SCHEMBL7544644 0.81 CCKBR (0.67) CCKBRCCKARGRIN2B
SCHEMBL8774379 0.81 CCKBR (0.52) CCKBRCCKAR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US disclosed