SCHEMBL9600455

SCHEMBL9600455

Cc1cccc(-c2cc(Cl)cc(Cl)c2CN)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.52
DPP8 Q6V1X1 4/20 0.46
DPP9 Q86TI2 4/20 0.46
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CNR1 P21554 1/20 0.38
CYP2C9 P11712 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL9601003 0.82 DPP4 (0.49) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL9602126 0.82 PNMT (0.39) DPP4DPP8DPP9TAAR1
SCHEMBL9601457 0.82 CSNK2A1 (0.51) DPP4CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL9601814 0.81 DPP4 (0.52) DPP4DPP8DPP9CYP3A4TAAR1
SCHEMBL9600966 0.81 DPP4 (0.55) DPP4DPP8DPP9CNR1
SCHEMBL9600526 0.76 DPP4 (0.47) DPP4DPP8DPP9CYP3A4
SCHEMBL9602733 0.76 DPP4 (0.36) DPP4DPP8DPP9CYP3A4TAAR1
SCHEMBL9602432 0.74 DPP4 (0.50) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL5536644 0.74 L3MBTL1 (0.49) DPP4CNR1
SCHEMBL10703217 0.73 DPP4 (0.52) DPP4DPP8DPP9CNR1ALDH1A1

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