SCHEMBL8802122

SCHEMBL8802122

CN(C)C(=O)c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.57
ALOX5 P09917 4/20 0.55
GPBAR1 Q8TDU6 3/20 0.52
CYSLTR1 Q9Y271 3/20 0.52
CYSLTR2 Q9NS75 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48

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 0.87 CYSLTR1 (0.62) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL8799782 0.84 PDE10A (0.59) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL8802120 0.84 PDE10A (0.55) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL9756934 0.82 CYSLTR1 (0.60) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL9757134 0.82 CYSLTR1 (0.58) PDE10AALOX5GPBAR1CYSLTR1
SCHEMBL9756941 0.82 CYSLTR1 (0.54) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL9757258 0.81 CYSLTR1 (0.60) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL9757208 0.81 CYSLTR1 (0.61) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL8800491 0.77 PDE10A (0.60) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL10512475 0.75 PDE10A (0.77) PDE10AGPBAR1CYSLTR1CYSLTR2

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