SCHEMBL5378903

SCHEMBL5378903

CCOC(=O)CCc1cn(Cc2ccc(OCc3ccc4ccccc4n3)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.55
CYSLTR1 Q9Y271 3/20 0.55
PDE10A Q9Y233 9/20 0.51
ALOX5AP P20292 3/20 0.47
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
ALOX5 P09917 1/20 0.46
LGALS3 P17931 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL5373709 0.90 FFAR1 (0.61) CYSLTR2CYSLTR1PDE10AALOX5APFFAR1
SCHEMBL5397393 0.88 HDAC1 (0.41) CYSLTR2CYSLTR1ALOX5APFFAR1ALOX5
SCHEMBL5397526 0.83 CYSLTR2 (0.47) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL5393783 0.83 FFAR1 (0.66) CYSLTR2CYSLTR1PDE10AFFAR1AKR1B1
SCHEMBL5374912 0.83 HDAC1 (0.44) CYSLTR2CYSLTR1ALOX5APFFAR1ALOX5
SCHEMBL5382038 0.83 KMT2A (0.47)
SCHEMBL5376872 0.82 FFAR1 (0.53) FFAR1
SCHEMBL5373797 0.80 ALDH1A1 (0.47) CYSLTR2CYSLTR1
SCHEMBL5374476 0.79 RAB9A (0.47) CYSLTR2CYSLTR1PDE10AALOX5
SCHEMBL5385345 0.78 PPARG (0.43) FFAR1

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