SCHEMBL8801669

SCHEMBL8801669

O=C1CCc2cccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)c2N1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.54
GPBAR1 Q8TDU6 2/20 0.54
CYSLTR2 Q9NS75 2/20 0.49
ALOX5 P09917 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
SCHEMBL8801508 0.90 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8800538 0.83 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8802992 0.81 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8801917 0.81 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8801610 0.80 MAOA (0.56) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8801512 0.77 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089132 0.77 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8801120 0.76 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089807 0.76 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6088435 0.76 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799826-A1 Heteroaryl substituted phenylene derivatives, their preparation and their use as leukotriene receptor antagonists KOWA CO. LTD. (JP) 1997-10-08 EP disclosed