SCHEMBL5382702

SCHEMBL5382702

COC(=O)c1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)nc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.56
PPARA Q07869 11/20 0.56
FFAR1 O14842 1/20 0.55
PPARD Q03181 1/20 0.51
MAPT P10636 1/20 0.48
KDR P35968 1/20 0.46

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
SCHEMBL5387957 0.93 PPARG (0.59) PPARGPPARAFFAR1PPARDKDR
SCHEMBL7569301 0.87 PPARG (0.53) PPARGPPARAFFAR1PPARDMAPT
SCHEMBL5385618 0.84 PPARG (0.54) PPARGPPARAFFAR1PPARDKDR
SCHEMBL5381917 0.84 FFAR1 (0.67) PPARGPPARAFFAR1PPARD
SCHEMBL5372061 0.84 FFAR1 (0.52) PPARGPPARAFFAR1PPARDMAPT
SCHEMBL5381904 0.83 FFAR1 (0.62) PPARGPPARAFFAR1MAPTKDR
SCHEMBL5385889 0.81 FFAR1 (0.57) PPARGPPARAFFAR1KDR
SCHEMBL5385202 0.81 FFAR1 (0.59) PPARGPPARAFFAR1PPARDMAPT
SCHEMBL7543713 0.80 FFAR1 (0.59) PPARGPPARAFFAR1MAPTKDR
SCHEMBL5376864 0.80 FFAR1 (0.55) PPARGPPARAFFAR1KDR

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