SCHEMBL5397456

SCHEMBL5397456

Cc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CO)c(-c3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
KDR P35968 1/20 0.58
PPARG P37231 14/20 0.54
PPARA Q07869 11/20 0.54
MAPT P10636 1/20 0.46
PPARD Q03181 1/20 0.45

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
SCHEMBL5381909 0.92 FFAR1 (0.52) FFAR1KDRPPARGPPARAMAPT
SCHEMBL5382421 0.89 FFAR1 (0.71) FFAR1KDRPPARGPPARAPPARD
SCHEMBL5380851 0.88 KDR (0.50) FFAR1KDRPPARGPPARA
SCHEMBL5397157 0.86 FFAR1 (0.59) FFAR1KDRPPARGPPARAPPARD
SCHEMBL5381987 0.85 FFAR1 (0.57) FFAR1KDRPPARGPPARAMAPT
SCHEMBL5374673 0.84 FFAR1 (0.59) FFAR1KDRPPARGPPARAMAPT
SCHEMBL5374677 0.84 FFAR1 (0.59) FFAR1KDRPPARGPPARAMAPT
SCHEMBL5385202 0.84 FFAR1 (0.59) FFAR1KDRPPARGPPARAMAPT
SCHEMBL5380833 0.83 FFAR1 (0.65) FFAR1KDRPPARGPPARAPPARD
SCHEMBL3281065 0.83 KDR (0.76) FFAR1KDRPPARGPPARAMAPT

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