SCHEMBL8802120

SCHEMBL8802120

CCNC(=O)c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.55
CYSLTR1 Q9Y271 5/20 0.52
ALOX5 P09917 2/20 0.51
GPBAR1 Q8TDU6 5/20 0.50
ALOX5AP P20292 3/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
CLK1 P49759 1/20 0.49

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 0.85 CYSLTR1 (0.62) PDE10ACYSLTR1ALOX5GPBAR1ALOX5AP
SCHEMBL8799782 0.85 PDE10A (0.59) PDE10ACYSLTR1ALOX5GPBAR1ALOX5AP
SCHEMBL8802122 0.84 PDE10A (0.57) PDE10ACYSLTR1ALOX5GPBAR1CYSLTR2
SCHEMBL9757134 0.82 CYSLTR1 (0.58) PDE10ACYSLTR1ALOX5GPBAR1ALOX5AP
SCHEMBL9757208 0.81 CYSLTR1 (0.61) PDE10ACYSLTR1ALOX5GPBAR1ALOX5AP
SCHEMBL9756934 0.81 CYSLTR1 (0.60) PDE10ACYSLTR1ALOX5GPBAR1CYSLTR2
SCHEMBL9756941 0.80 CYSLTR1 (0.54) PDE10ACYSLTR1ALOX5GPBAR1CYSLTR2
SCHEMBL9757258 0.79 CYSLTR1 (0.60) PDE10ACYSLTR1ALOX5GPBAR1CYSLTR2
SCHEMBL9766867 0.77 CYSLTR1 (0.45) PDE10ACYSLTR1
SCHEMBL9757459 0.76 ALOX5 (0.47) CYSLTR1ALOX5GPBAR1CYSLTR2

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 2 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
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed