SCHEMBL5397444

SCHEMBL5397444

COC(=O)CCc1cn(Cc2ccc(OCc3nc(C)oc3C)cc2)nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
VDR P11473 2/20 0.42
PPARD Q03181 1/20 0.42
PPARG P37231 11/20 0.42
PPARA Q07869 8/20 0.42
GAA P10253 1/20 0.41
JAK1 P23458 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL5397311 0.93 FFAR1 (0.59) FFAR1PPARGPPARAMAPT
SCHEMBL5379436 0.92 FFAR1 (0.58) FFAR1HDAC1HDAC7PPARDPPARG
SCHEMBL5372242 0.88 FFAR1 (0.49) FFAR1HDAC1HDAC7VDRPPARD
SCHEMBL5381805 0.88 PPARA (0.52) FFAR1HDAC1HDAC7PPARDPPARG
SCHEMBL5384888 0.86 HDAC1 (0.55) FFAR1HDAC1HDAC7PPARDGAA
SCHEMBL5387534 0.85 FFAR1 (0.70) FFAR1PPARDPPARGPPARA
SCHEMBL5376745 0.84 FFAR1 (0.54) FFAR1PPARGPPARAGAAMAPT
SCHEMBL5376961 0.83 FFAR1 (0.65) FFAR1PPARGPPARAGAAMAPT
SCHEMBL5372385 0.82 HDAC1 (0.58) HDAC1HDAC7GAAMAPT
SCHEMBL5392037 0.82 FFAR1 (0.65) FFAR1HDAC1HDAC7PPARGPPARA

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 3 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