SCHEMBL5374845

SCHEMBL5374845

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
FAAH O00519 3/20 0.46
GAA P10253 1/20 0.42
LTA4H P09960 7/20 0.42
PPARG P37231 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5383041 0.86 HDAC1 (0.53) HDAC1HDAC7FAAHGAAALDH1A1
SCHEMBL5379034 0.86 PPARG (0.43) HDAC1HDAC7FAAHGAALTA4H
SCHEMBL5381180 0.84 HDAC1 (0.52) HDAC1HDAC7FAAHGAAALDH1A1
SCHEMBL5374912 0.83 HDAC1 (0.44) HDAC1HDAC7FAAHGAAALDH1A1
SCHEMBL5397024 0.83 HDAC1 (0.43) HDAC1HDAC7FAAHGAAPPARG
SCHEMBL5373797 0.82 ALDH1A1 (0.47) HDAC1HDAC7FAAHGAAALDH1A1
SCHEMBL5374476 0.81 RAB9A (0.47) HDAC1HDAC7FAAHGAAMAPT
SCHEMBL5380613 0.80 ALDH1A1 (0.54) HDAC1HDAC7FAAHGAAALDH1A1
SCHEMBL5382748 0.80 HDAC1 (0.41) HDAC1HDAC7FAAHGAAALDH1A1
SCHEMBL5397393 0.80 HDAC1 (0.41) HDAC1HDAC7FAAHGAACYSLTR2

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 7 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-1235830-A2 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2002-09-04 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-2001042246-A2 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-06-14 WO disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed