SCHEMBL8633949

SCHEMBL8633949

CCOC(=O)c1ccccc1CC[C@H](O)c1cccc(C=Cc2ccc3cc(F)c(F)cc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 2/20 0.41
▸ CYSLTR2 Q9NS75 1/20 0.41

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
SCHEMBL8633946 1.00 CYSLTR1 (0.41) CYSLTR1CYSLTR2
SCHEMBL8560260 0.88 CYSLTR1 (0.45) CYSLTR1CYSLTR2
SCHEMBL8560258 0.88 CYSLTR1 (0.45) CYSLTR1CYSLTR2
SCHEMBL8629212 0.83 CYSLTR2 (0.44) CYSLTR1CYSLTR2
SCHEMBL8629215 0.83 CYSLTR2 (0.44) CYSLTR1CYSLTR2
SCHEMBL9102221 0.83 CYSLTR2 (0.45) CYSLTR1CYSLTR2
SCHEMBL9102214 0.83 CYSLTR2 (0.45) CYSLTR1CYSLTR2
SCHEMBL9170805 0.82 CYSLTR1 (0.43) CYSLTR1
SCHEMBL8629090 0.80 CYSLTR2 (0.54) CYSLTR1CYSLTR2
SCHEMBL8629093 0.80 CYSLTR2 (0.54) CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565185-B1 Quinoline derivatives as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-07-08 — — EP disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 — — US disclosed
WO-1993021159-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 — — WO disclosed
EP-0565185-A1 Quinoline derivatives as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1993-10-13 — — EP disclosed
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