SCHEMBL5380982

SCHEMBL5380982

O=C(O)CCc1cn(Cc2ccc(OCc3ccc(-c4ccccc4)cn3)cc2)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
FFAR1 O14842 11/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
AKR1B1 P15121 2/20 0.46
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
FFAR4 Q5NUL3 6/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
ALOX5AP P20292 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 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
SCHEMBL5385908 0.96 FFAR1 (0.49) GAAFFAR1HDAC1HDAC7AKR1B1
SCHEMBL5374912 0.89 HDAC1 (0.44) GAAFFAR1HDAC1HDAC7CYP19A1
SCHEMBL5380635 0.87 FFAR1 (0.46) GAAFFAR1AKR1B1CYP19A1FFAR4
SCHEMBL5377099 0.87 FFAR1 (0.56) GAAFFAR1HDAC1HDAC7AKR1B1
SCHEMBL5393783 0.86 FFAR1 (0.66) FFAR1AKR1B1CYSLTR2CYSLTR1
SCHEMBL5397393 0.86 HDAC1 (0.41) GAAFFAR1HDAC1HDAC7CYP19A1
SCHEMBL5377315 0.84 FFAR1 (0.50) GAAFFAR1HDAC1HDAC7AKR1B1
SCHEMBL5383105 0.84 HDAC1 (0.48) GAAFFAR1HDAC1HDAC7AKR1B1
SCHEMBL5381554 0.83 HDAC1 (0.46) GAAFFAR1HDAC1HDAC7AKR1B1
SCHEMBL5387558 0.83 ALDH1A1 (0.51) GAAFFAR1HDAC1HDAC7AKR1B1

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