SCHEMBL5380946

SCHEMBL5380946

N#CCc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.44
MAOB P27338 7/20 0.43
KMT2A Q03164 2/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL5381994 0.86 KMT2A (0.44) CYP19A1MAOBKMT2AMEN1ALDH1A1
SCHEMBL5381126 0.84 PTGDR2 (0.48) MAOBALDH1A1
SCHEMBL7549149 0.81 GPR34 (0.43) MAOBKMT2AMEN1ALDH1A1
SCHEMBL2822604 0.80 FFAR1 (0.56)
SCHEMBL5372015 0.79 KMT2A (0.65) CYP19A1KMT2AMEN1ALDH1A1ENPP2
SCHEMBL16381990 0.78 HRH3 (0.40) CYP19A1KMT2AMEN1ALDH1A1
SCHEMBL5372077 0.78 CYP19A1 (0.48) CYP19A1MAOBKMT2AMEN1ALDH1A1
SCHEMBL7564649 0.76 MAOB (0.45) MAOBKMT2AMEN1ALDH1A1
SCHEMBL5383039 0.75 GAA (0.68) MAOBKMT2AMEN1ALDH1A1
SCHEMBL5383037 0.75 GAA (0.68) MAOBKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed