SCHEMBL5376872

SCHEMBL5376872

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
PPARG P37231 15/20 0.50
PPARA Q07869 13/20 0.50
PPARD Q03181 1/20 0.47
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5376745 0.93 FFAR1 (0.54) FFAR1PPARGPPARAPOLB
SCHEMBL5380307 0.93 FFAR1 (0.64) FFAR1PPARGPPARAPPARD
SCHEMBL5385345 0.90 PPARG (0.43) FFAR1PPARGPPARAPPARDTP53
SCHEMBL5377340 0.89 FFAR1 (0.60) FFAR1PPARGPPARAPPARD
SCHEMBL5397311 0.89 FFAR1 (0.59) FFAR1PPARGPPARA
SCHEMBL5374736 0.88 FFAR1 (0.58) FFAR1PPARGPPARA
SCHEMBL5387534 0.88 FFAR1 (0.70) FFAR1PPARGPPARAPPARD
SCHEMBL5377218 0.87 FFAR1 (0.57) FFAR1PPARGPPARA
SCHEMBL5371978 0.87 FFAR1 (0.57) FFAR1PPARGPPARATP53
SCHEMBL5371853 0.86 FFAR1 (0.56) 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