SCHEMBL5374476

SCHEMBL5374476

CCOC(=O)CCc1cn(Cc2ccc(OCc3nc4ccccc4n3C)cc2)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
FAAH O00519 2/20 0.41
ALOX5 P09917 1/20 0.40
PDE10A Q9Y233 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL5376691 0.91 NPC1 (0.51) RAB9ANPC1HDAC1HDAC7ALOX5
SCHEMBL5377161 0.89 RAB9A (0.48) RAB9ANPC1ALOX5PDE10AHDAC6
SCHEMBL5385668 0.82 RAB9A (0.50) RAB9ANPC1ALOX5PDE10AHDAC6
SCHEMBL5383041 0.82 HDAC1 (0.53) RAB9ANPC1HDAC1HDAC7FAAH
SCHEMBL5373797 0.81 ALDH1A1 (0.47) RAB9ANPC1HDAC1HDAC7FAAH
SCHEMBL5374845 0.81 HDAC1 (0.47) HDAC1HDAC7FAAHCYSLTR2CYSLTR1
SCHEMBL5374912 0.80 HDAC1 (0.44) HDAC1HDAC7FAAHALOX5CYSLTR2
SCHEMBL5397024 0.80 HDAC1 (0.43) HDAC1HDAC7FAAHMAPTHPGD
SCHEMBL5378903 0.79 CYSLTR2 (0.55) ALOX5PDE10ACYSLTR2CYSLTR1
SCHEMBL5381180 0.78 HDAC1 (0.52) RAB9ANPC1HDAC1HDAC7FAAH

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