SCHEMBL5380734

SCHEMBL5380734

Cc1oc(-c2ccccc2)nc1COc1nn(Cc2ccc(Oc3ccccc3)cc2)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.49
▸ PPARG P37231 17/20 0.48
▸ PPARA Q07869 16/20 0.48
▸ KDR P35968 1/20 0.46
▸ PPARD Q03181 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5377170 0.93 FFAR1 (0.54) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4851654 0.92 FFAR1 (0.53) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5381242 0.90 FFAR1 (0.51) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5381233 0.90 FFAR1 (0.51) FFAR1PPARGPPARAKDRPPARD
SCHEMBL4848645 0.89 KDR (0.58) FFAR1PPARGPPARAKDR
SCHEMBL5397552 0.87 FFAR1 (0.48) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5397550 0.87 FFAR1 (0.48) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5380617 0.86 FFAR1 (0.55) FFAR1PPARGPPARAKDRPPARD
SCHEMBL7566356 0.85 FFAR1 (0.48) FFAR1PPARGPPARAKDRPPARD
SCHEMBL5385613 0.85 KDR (0.54) FFAR1PPARGPPARAKDRPPARD

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
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