SCHEMBL4054644

SCHEMBL4054644

CCOC(=O)/C(CSC1c2cc(OCc3ccc4cc(F)c(Cl)cc4n3)ccc2CCc2ncccc21)=N\N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.32
CYSLTR1 Q9Y271 3/20 0.32
ALOX5AP P20292 2/20 0.31
MAOB P27338 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL4054649 1.00 CYSLTR2 (0.32) CYSLTR2CYSLTR1ALOX5APMAOBALOX5
SCHEMBL13765252 1.00 CYSLTR2 (0.32) CYSLTR2CYSLTR1ALOX5APMAOBALOX5
SCHEMBL4052171 0.89 CYSLTR2 (0.32) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4059512 0.87 CYSLTR2 (0.33) CYSLTR2CYSLTR1ALOX5APALOX5
SCHEMBL4059510 0.87 CYSLTR2 (0.33) CYSLTR2CYSLTR1ALOX5APALOX5
SCHEMBL14159715 0.83 ALOX5AP (0.34) CYSLTR2CYSLTR1ALOX5APALOX5
SCHEMBL4053022 0.83 CYSLTR2 (0.33) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4053023 0.83 CYSLTR2 (0.33) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL13765258 0.83 CYSLTR2 (0.35) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4052136 0.82 CYSLTR2 (0.36) 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 1 patent. 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