SCHEMBL9600968

SCHEMBL9600968

NCc1c(Cl)cc(Cl)cc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.49
SRC P12931 2/20 0.39
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.38
GPR17 Q13304 1/20 0.38
CYP3A4 P08684 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
RIPK2 O43353 1/20 0.36
EGFR P00533 1/20 0.36
TNK2 Q07912 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) DPP4CYP3A4DPP8DPP9
SCHEMBL9601003 0.83 DPP4 (0.49) DPP4CYP3A4DPP8DPP9
SCHEMBL9601457 0.82 CSNK2A1 (0.51) DPP4CYP3A4
SCHEMBL9601814 0.82 DPP4 (0.52) DPP4KDM4ECYP3A4DPP8DPP9
SCHEMBL9602733 0.80 DPP4 (0.36) DPP4TP53CYP3A4DPP8DPP9
SCHEMBL9602419 0.79 DPP4 (0.52) DPP4CYP3A4DPP8DPP9
SCHEMBL9600428 0.78 DPP4 (0.40) DPP4CYP3A4DPP8DPP9MAPK14
SCHEMBL28155204 0.73 DPP4 (0.40) DPP4PTGS2GCGR
SCHEMBL9600455 0.72 DPP4 (0.52) DPP4CYP3A4DPP8DPP9
SCHEMBL2090996 0.72 ALDH1A1 (0.45) DPP4TP53CYP3A4DPP8

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