SCHEMBL5376844

SCHEMBL5376844

Cc1oc(-c2ccccc2)nc1COc1ccc(CCn2cc(CCC(=O)O)c(-c3ccccc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.72
PPARG P37231 17/20 0.55
PPARA Q07869 15/20 0.55
GAA P10253 1/20 0.50
KDR P35968 1/20 0.48

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
SCHEMBL5387534 0.92 FFAR1 (0.70) FFAR1PPARGPPARA
SCHEMBL5376727 0.92 FFAR1 (0.65) FFAR1PPARGPPARAKDR
SCHEMBL5377340 0.92 FFAR1 (0.60) FFAR1PPARGPPARAKDR
SCHEMBL5380550 0.90 FFAR1 (0.69) FFAR1PPARGPPARAKDR
SCHEMBL5376697 0.89 FFAR1 (0.65) FFAR1PPARGPPARA
SCHEMBL5376961 0.89 FFAR1 (0.65) FFAR1PPARGPPARAGAA
SCHEMBL5380307 0.88 FFAR1 (0.64) FFAR1PPARGPPARA
SCHEMBL5392037 0.87 FFAR1 (0.65) FFAR1PPARGPPARAKDR
SCHEMBL5378976 0.87 FFAR1 (0.64) FFAR1PPARGPPARAKDR
SCHEMBL5384782 0.86 FFAR1 (0.61) 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