SCHEMBL5377315

SCHEMBL5377315

O=C(O)CCc1cn(Cc2ccc(OCc3cncc(-c4ccccc4)c3)cc2)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.50
FFAR4 Q5NUL3 6/20 0.50
AKR1B1 P15121 1/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
GAA P10253 1/20 0.47
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL5397024 0.90 HDAC1 (0.43) FFAR1FFAR4AKR1B1HDAC1HDAC7
SCHEMBL5377099 0.88 FFAR1 (0.56) FFAR1FFAR4AKR1B1HDAC1HDAC7
SCHEMBL5387558 0.88 ALDH1A1 (0.51) FFAR1FFAR4AKR1B1HDAC1HDAC7
SCHEMBL5372527 0.88 FFAR1 (0.47) FFAR1FFAR4AKR1B1PTGER4PTGER3
SCHEMBL5383105 0.85 HDAC1 (0.48) FFAR1FFAR4AKR1B1HDAC1HDAC7
SCHEMBL5380982 0.84 GAA (0.50) FFAR1FFAR4AKR1B1HDAC1HDAC7
SCHEMBL5385908 0.80 FFAR1 (0.49) FFAR1FFAR4AKR1B1HDAC1HDAC7
SCHEMBL5385561 0.80 FFAR1 (0.40) FFAR1FFAR4AKR1B1HDAC1MAPT
SCHEMBL5393783 0.80 FFAR1 (0.66) FFAR1AKR1B1
SCHEMBL5384888 0.79 HDAC1 (0.55) FFAR1FFAR4HDAC1HDAC7GAA

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