SCHEMBL9602432

SCHEMBL9602432

Cc1ccccc1-c1cc(Cl)cc(Cl)c1CN

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.50
DPP8 Q6V1X1 6/20 0.44
DPP9 Q86TI2 4/20 0.44
PLA2G7 Q13093 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP1A1 P04798 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL9600428 0.80 DPP4 (0.40) DPP4DPP8DPP9CYP3A4
SCHEMBL9601457 0.77 CSNK2A1 (0.51) DPP4CSNK2A1CYP1A2CYP3A4CYP2C19
SCHEMBL10480446 0.76 DPP4 (0.41) DPP4DPP8DPP9PLA2G7CSNK2A2
SCHEMBL9601003 0.75 DPP4 (0.49) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL9600455 0.74 DPP4 (0.52) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL21620288 0.74 CYP1A2 (0.46) DPP4PLA2G7CYP1A2CYP2C19CYP1A1
SCHEMBL110348 0.74 KRAS (0.40) DPP4DPP8
Hydrochloric Acid SCHEMBL966799 0.72 KRAS (0.39) DPP4DPP8
SCHEMBL9600526 0.72 DPP4 (0.47) DPP4DPP8DPP9CYP3A4
SCHEMBL2090996 0.71 ALDH1A1 (0.45) DPP4DPP8CYP3A4

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