SCHEMBL5376745

SCHEMBL5376745

CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)nc1-c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
MAPT P10636 4/20 0.49
PPARG P37231 12/20 0.47
PPARA Q07869 9/20 0.47
GAA P10253 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN11 Q06124 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
SCHEMBL5376872 0.93 FFAR1 (0.53) FFAR1PPARGPPARAPOLB
SCHEMBL5376961 0.92 FFAR1 (0.65) FFAR1MAPTPPARGPPARAGAA
SCHEMBL5397311 0.91 FFAR1 (0.59) FFAR1MAPTPPARGPPARA
SCHEMBL5371853 0.90 FFAR1 (0.56) FFAR1MAPTPPARGPPARA
SCHEMBL5377340 0.89 FFAR1 (0.60) FFAR1MAPTPPARGPPARA
SCHEMBL5374736 0.88 FFAR1 (0.58) FFAR1PPARGPPARA
SCHEMBL5387534 0.88 FFAR1 (0.70) FFAR1PPARGPPARA
SCHEMBL5377218 0.88 FFAR1 (0.57) FFAR1PPARGPPARA
SCHEMBL5371978 0.88 FFAR1 (0.57) FFAR1MAPTPPARGPPARA
SCHEMBL5376708 0.86 PPARG (0.49) FFAR1PPARGPPARA

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