SCHEMBL5377181

SCHEMBL5377181

Cc1oc(-c2ccccc2)nc1COc1cncc(CCl)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.62
FFAR1 O14842 1/20 0.54
PPARG P37231 11/20 0.50
PPARA Q07869 11/20 0.50
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL4029649 0.89 KDR (0.76) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4033640 0.86 KDR (0.79) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4035773 0.84 FFAR1 (0.69) KDRFFAR1PPARGPPARAMAPT
SCHEMBL5399780 0.84 KDR (0.65) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4032526 0.84 KDR (0.69) KDRFFAR1PPARGPPARAMAPT
SCHEMBL7564833 0.84 KDR (0.65) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4031457 0.83 KDR (0.80) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4030788 0.81 FFAR1 (0.66) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4029610 0.81 FFAR1 (0.55) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4034346 0.81 FFAR1 (0.66) KDRFFAR1PPARGPPARAMAPT

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