SCHEMBL5377290

SCHEMBL5377290

O=C(O)Cc1cn(CCc2ccc(OCc3ccccc3)cc2)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.50
FFAR4 Q5NUL3 4/20 0.50
PPARD Q03181 2/20 0.48
NR1H4 Q96RI1 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
AKR1B1 P15121 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
GAA P10253 1/20 0.46
MMP12 P39900 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
HMOX1 P09601 1/20 0.44
ALOX5 P09917 1/20 0.44
PRMT5 O14744 1/20 0.44

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
SCHEMBL5380585 0.86 KDM4E (0.53) KDM4EALDH1A1GAAALOX5
SCHEMBL5376727 0.83 FFAR1 (0.65) FFAR1KDM4E
SCHEMBL5381126 0.82 PTGDR2 (0.48) FFAR1FFAR4PPARDKDM4EALDH1A1
SCHEMBL7542977 0.81 FFAR1 (0.46) FFAR1FFAR4PPARDNR1H4ALDH1A1
SCHEMBL5377099 0.80 FFAR1 (0.56) FFAR1FFAR4PPARDALDH1A1AKR1B1
SCHEMBL5381740 0.79 PPARD (0.43) FFAR1FFAR4PPARDNR1H4AKR1B1
SCHEMBL5372077 0.78 CYP19A1 (0.48) KDM4EALDH1A1GAAHRH3
SCHEMBL7600106 0.75 ADORA3 (0.42) KDM4EALDH1A1GAA
SCHEMBL5384888 0.75 HDAC1 (0.55) FFAR1FFAR4PPARDPTGDR2GAA
SCHEMBL5376844 0.75 FFAR1 (0.72) FFAR1GAA

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