SCHEMBL8799782

SCHEMBL8799782

CCOC(=O)c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.59
CYSLTR1 Q9Y271 6/20 0.56
CYSLTR2 Q9NS75 3/20 0.56
ALOX5AP P20292 3/20 0.52
ALOX5 P09917 3/20 0.52
GPBAR1 Q8TDU6 5/20 0.51

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
SCHEMBL8801668 0.86 CYSLTR1 (0.62) PDE10ACYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9757134 0.85 CYSLTR1 (0.58) PDE10ACYSLTR1ALOX5APALOX5GPBAR1
SCHEMBL8802120 0.85 PDE10A (0.55) PDE10ACYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL8802122 0.84 PDE10A (0.57) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9757208 0.84 CYSLTR1 (0.61) PDE10ACYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL9756934 0.82 CYSLTR1 (0.60) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9756941 0.81 CYSLTR1 (0.54) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9757258 0.80 CYSLTR1 (0.60) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL14021543 0.79 GPBAR1 (0.70) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL10545855 0.78 CYSLTR1 (0.79) CYSLTR1CYSLTR2ALOX5GPBAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772594-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1997-05-14 EP disclosed
US-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed