SCHEMBL13765258

SCHEMBL13765258

CCOC(=O)/C(CSC1c2cc(OCc3ccc4cc(F)c(F)cc4n3)ccc2CN(C)c2ncccc21)=N/N

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
ALOX5AP P20292 3/20 0.32

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
SCHEMBL4058907 0.88 CYSLTR2 (0.35) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4053959 0.86 CYSLTR2 (0.36) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL13765255 0.86 CYSLTR2 (0.36) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4052947 0.86 CYSLTR2 (0.39) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL13771077 0.85 CYSLTR2 (0.35) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL13765256 0.84 CYSLTR2 (0.35) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4049947 0.83 CYSLTR2 (0.39) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4054644 0.83 CYSLTR2 (0.32) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL13765252 0.83 CYSLTR2 (0.32) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4054649 0.83 CYSLTR2 (0.32) CYSLTR2CYSLTR1ALOX5AP

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
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed