SCHEMBL5387682

SCHEMBL5387682

CCOC(=O)CCc1cn(Cc2ccc(OC)c(OCc3nc(-c4ccccc4)oc3C)c2)nc1OCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
KDR P35968 1/20 0.41
MAPT P10636 2/20 0.41
PPARG P37231 8/20 0.40
PPARA Q07869 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5371987 0.98 FFAR1 (0.45) FFAR1KDRMAPTPPARGPPARA
SCHEMBL5376634 0.95 FFAR1 (0.47) FFAR1KDRMAPTPPARGPPARA
SCHEMBL5381174 0.94 FFAR1 (0.53) FFAR1KDRMAPTPPARGPPARA
SCHEMBL5374354 0.92 FFAR1 (0.52) FFAR1KDRMAPTPPARGPPARA
SCHEMBL5376777 0.89 FFAR1 (0.54) FFAR1KDRMAPTPPARGPPARA
SCHEMBL5371978 0.89 FFAR1 (0.57) FFAR1KDRMAPTPPARGPPARA
SCHEMBL5383071 0.88 KDR (0.56) FFAR1KDRPPARGPPARA
SCHEMBL5376749 0.88 FFAR1 (0.45) FFAR1KDRPPARGPPARASMN1; SMN2
SCHEMBL5374366 0.87 FFAR1 (0.44) FFAR1KDRMAPTPPARGPPARA
SCHEMBL5385603 0.87 PPARG (0.49) MAPTPPARGPPARASMN1; SMN2KMT2A

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