SCHEMBL5397494

SCHEMBL5397494

CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cn2)nc1OCC

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.49
PPARA Q07869 16/20 0.49
FFAR1 O14842 1/20 0.49
KDR P35968 1/20 0.42

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
SCHEMBL5376885 0.94 FFAR1 (0.56) PPARGPPARAFFAR1KDR
SCHEMBL5382054 0.92 PPARG (0.49) PPARGPPARAFFAR1KDR
SCHEMBL5371978 0.90 FFAR1 (0.57) PPARGPPARAFFAR1KDR
SCHEMBL5385871 0.87 FFAR1 (0.43) PPARGPPARAFFAR1KDR
SCHEMBL5376899 0.87 FFAR1 (0.60) PPARGPPARAFFAR1KDR
SCHEMBL5377278 0.87 FFAR1 (0.47) PPARGPPARAFFAR1KDR
SCHEMBL5383071 0.86 KDR (0.56) PPARGPPARAFFAR1KDR
SCHEMBL5376749 0.86 FFAR1 (0.45) PPARGPPARAFFAR1KDR
SCHEMBL5380604 0.85 FFAR1 (0.56) PPARGPPARAFFAR1KDR
SCHEMBL5372574 0.85 PPARG (0.48) PPARGPPARAFFAR1

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