SCHEMBL9602733

SCHEMBL9602733

NCc1c(Cl)cc(Cl)cc1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.36
CYP3A4 P08684 2/20 0.34
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 2/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
AHR P35869 2/20 0.32
TP53 P04637 1/20 0.32

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 0.84 DPP4 (0.47) DPP4CYP3A4DPP8DPP9AHR
SCHEMBL9601457 0.82 CSNK2A1 (0.51) DPP4CYP3A4CSNK2A1
SCHEMBL9601003 0.80 DPP4 (0.49) DPP4CYP3A4DPP8DPP9
SCHEMBL9600968 0.80 DPP4 (0.49) DPP4CYP3A4DPP8DPP9TP53
SCHEMBL2090996 0.79 ALDH1A1 (0.45) DPP4CYP3A4DPP8ALDH1A1TSHR
SCHEMBL9600455 0.76 DPP4 (0.52) DPP4CYP3A4DPP8DPP9ALDH1A1
SCHEMBL9601814 0.76 DPP4 (0.52) DPP4CYP3A4DPP8DPP9TAAR1
SCHEMBL9602419 0.76 DPP4 (0.52) DPP4CYP3A4DPP8DPP9AHR
SCHEMBL9602126 0.73 PNMT (0.39) DPP4DPP8DPP9CSNK2A1TAAR1
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 3 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
EP-0318181-A2 N-(Biphenylmethyl)-3-hydroxyglutaramic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-05-31 EP disclosed