SCHEMBL10534516

SCHEMBL10534516

N#CCOc1cccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1.c1cc(COc2ccccc2OCc2ccc3ccccc3n2)cc(OCc2nnn[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.49
GPBAR1 Q8TDU6 1/20 0.49
CYSLTR2 Q9NS75 2/20 0.47

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
SCHEMBL7007475 0.96 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7717069 0.92 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7008285 0.90 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7004658 0.87 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7514327 0.87 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7009755 0.86 CYSLTR1 (0.65) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10534526 0.86 CYSLTR1 (0.45) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7717000 0.85 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL7007631 0.84 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7516263 0.84 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2

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
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed