SCHEMBL9601003

SCHEMBL9601003

Cc1ccc(-c2cc(Cl)cc(Cl)c2CN)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.49
DPP8 Q6V1X1 6/20 0.46
DPP9 Q86TI2 4/20 0.46
CYP3A4 P08684 2/20 0.38
BACE1 P56817 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9600526 0.87 DPP4 (0.47) DPP4DPP8DPP9CYP3A4
SCHEMBL9600968 0.83 DPP4 (0.49) DPP4DPP8DPP9CYP3A4
SCHEMBL9601457 0.82 CSNK2A1 (0.51) DPP4CYP3A4CYP1A2CYP2C19
SCHEMBL9600455 0.82 DPP4 (0.52) DPP4DPP8DPP9CYP3A4CYP1A2
SCHEMBL9602419 0.82 DPP4 (0.52) DPP4DPP8DPP9CYP3A4
SCHEMBL9602733 0.80 DPP4 (0.36) DPP4DPP8DPP9CYP3A4
SCHEMBL9602432 0.75 DPP4 (0.50) DPP4DPP8DPP9CYP3A4CYP1A2
SCHEMBL9602126 0.73 PNMT (0.39) DPP4DPP8DPP9
SCHEMBL9601814 0.72 DPP4 (0.52) DPP4DPP8DPP9CYP3A4
SCHEMBL9600966 0.72 DPP4 (0.55) DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318181-B1 N-(Biphenylmethyl)-3-hydroxyglutaramic acids and derivatives as hypocholesterolemic agents PFIZER (US) 1993-06-16 EP disclosed
US-5169976-A N-(biphenylmethyl)-3-hydroxyglutaramic acid and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1992-12-08 US disclosed
WO-1989004821-A1 N-(BIPHENYLMETHYL)-3-HYDROXYGLUTARAMIC ACID AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1989-06-01 WO disclosed
EP-0318181-A2 N-(Biphenylmethyl)-3-hydroxyglutaramic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-05-31 EP disclosed