SCHEMBL5377218

SCHEMBL5377218

CCCc1nn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1CCC(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
PPARG P37231 17/20 0.49
PPARA Q07869 16/20 0.49

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
SCHEMBL5380565 0.93 FFAR1 (0.68) FFAR1PPARGPPARA
SCHEMBL5374736 0.91 FFAR1 (0.58) FFAR1PPARGPPARA
SCHEMBL5371978 0.91 FFAR1 (0.57) FFAR1PPARGPPARA
SCHEMBL5371853 0.90 FFAR1 (0.56) FFAR1PPARGPPARA
SCHEMBL5380604 0.89 FFAR1 (0.56) FFAR1PPARGPPARA
SCHEMBL5377270 0.88 FFAR1 (0.54) FFAR1PPARGPPARA
SCHEMBL5376745 0.88 FFAR1 (0.54) FFAR1PPARGPPARA
SCHEMBL5376872 0.87 FFAR1 (0.53) FFAR1PPARGPPARA
SCHEMBL5393704 0.87 FFAR1 (0.52) FFAR1PPARGPPARA
SCHEMBL5380406 0.85 FFAR1 (0.51) 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