SCHEMBL5385202

SCHEMBL5385202

COC(=O)c1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
PPARG P37231 12/20 0.54
PPARA Q07869 10/20 0.54
PPARD Q03181 1/20 0.52
KDR P35968 1/20 0.51
MAPT P10636 4/20 0.51

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
SCHEMBL5383028 0.89 PPARG (0.50) FFAR1PPARGPPARAPPARD
SCHEMBL5397456 0.84 FFAR1 (0.58) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5384912 0.84 FFAR1 (0.53) FFAR1PPARGPPARAKDR
SCHEMBL5374673 0.84 FFAR1 (0.59) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5374677 0.84 FFAR1 (0.59) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5381987 0.83 FFAR1 (0.57) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5382421 0.83 FFAR1 (0.71) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5385365 0.83 S1PR5 (0.51) FFAR1
SCHEMBL5387806 0.81 FFAR1 (0.55) FFAR1PPARGPPARAKDRMAPT
SCHEMBL5382702 0.81 PPARG (0.56) FFAR1PPARGPPARAPPARDKDR

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