SCHEMBL5385871

SCHEMBL5385871

CCOC(=O)CCc1cn(Cc2cccc(OCc3nc(-c4ccccc4)oc3C)n2)nc1OCC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
KDR P35968 1/20 0.41
PPARG P37231 16/20 0.38
PPARA Q07869 15/20 0.38
PPARD Q03181 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5372009 0.94 FFAR1 (0.51) FFAR1KDRPPARGPPARAPPARD
SCHEMBL5397494 0.87 PPARG (0.49) FFAR1KDRPPARGPPARA
SCHEMBL5397092 0.87 FFAR1 (0.43) FFAR1KDRPPARGPPARAPPARD
SCHEMBL5372574 0.87 PPARG (0.48) FFAR1PPARGPPARA
SCHEMBL5376749 0.87 FFAR1 (0.45) FFAR1KDRPPARGPPARAPPARD
SCHEMBL5374366 0.86 FFAR1 (0.44) FFAR1KDRPPARGPPARA
SCHEMBL5371978 0.86 FFAR1 (0.57) FFAR1KDRPPARGPPARA
SCHEMBL5383071 0.85 KDR (0.56) FFAR1KDRPPARGPPARA
SCHEMBL5376634 0.84 FFAR1 (0.47) FFAR1KDRPPARGPPARAPPARD
SCHEMBL5376899 0.83 FFAR1 (0.60) FFAR1KDRPPARGPPARAPPARD

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