SCHEMBL5397393

SCHEMBL5397393

CCOC(=O)CCc1cn(Cc2ccc(OCc3ccc(-c4ccccc4)cn3)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
ALOX5AP P20292 4/20 0.40
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CYP19A1 P11511 2/20 0.39
GRM5 P41594 1/20 0.39
GAA P10253 1/20 0.39
ALOX5 P09917 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL5374912 0.96 HDAC1 (0.44) HDAC1HDAC7ALOX5APFFAR1CYSLTR2
SCHEMBL5385908 0.90 FFAR1 (0.49) HDAC1HDAC7FFAR1FFAR4CYP19A1
SCHEMBL5378903 0.88 CYSLTR2 (0.55) ALOX5APFFAR1CYSLTR2CYSLTR1ALOX5
SCHEMBL5381015 0.87 ALOX5AP (0.42) ALOX5APFFAR1FFAR4CYSLTR2CYSLTR1
SCHEMBL5380982 0.86 GAA (0.50) HDAC1HDAC7ALOX5APFFAR1FFAR4
SCHEMBL5376872 0.83 FFAR1 (0.53) FFAR1
SCHEMBL5382038 0.83 KMT2A (0.47) HDAC1HDAC7GAASMN1; SMN2NPSR1
SCHEMBL5397024 0.82 HDAC1 (0.43) HDAC1HDAC7FFAR1FFAR4GAA
SCHEMBL5373797 0.82 ALDH1A1 (0.47) HDAC1HDAC7CYSLTR2CYSLTR1GAA
SCHEMBL5383041 0.81 HDAC1 (0.53) HDAC1HDAC7GAASMN1; SMN2KMT2A

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