SCHEMBL5387616

SCHEMBL5387616

Cc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CO)c(-c3cccs3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
KDR P35968 1/20 0.49
PPARA Q07869 13/20 0.49
PPARG P37231 14/20 0.47
PPARD Q03181 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5378969 0.91 FFAR1 (0.54) FFAR1PPARAPPARGPPARDKDM4E
SCHEMBL5382440 0.90 FFAR1 (0.62) FFAR1PPARAPPARGPPARD
SCHEMBL5379443 0.90 PPARA (0.55) FFAR1PPARAPPARGPPARD
SCHEMBL5377430 0.90 FFAR1 (0.56) FFAR1KDRPPARAPPARGMAPT
SCHEMBL5376721 0.90 FFAR1 (0.46) FFAR1KDRPPARAPPARGPPARD
SCHEMBL6829766 0.89 FFAR1 (0.50) FFAR1KDRPPARAPPARGPPARD
SCHEMBL5380963 0.89 FFAR1 (0.54) FFAR1KDRPPARAPPARGPPARD
SCHEMBL6829769 0.88 FFAR1 (0.51) FFAR1PPARAPPARGPPARDMAPT
SCHEMBL7547493 0.87 PPARA (0.54) FFAR1PPARAPPARGPPARD
SCHEMBL5374667 0.86 FFAR1 (0.49) FFAR1KDRPPARAPPARGPPARD

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