SCHEMBL4050759

SCHEMBL4050759

CN1Cc2ccc(OCc3ccc4cc(F)c(F)cc4n3)cc2C(=O)c2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PDE10A Q9Y233 13/20 0.39
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
ALOX5 P09917 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
ALOX5AP P20292 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2B P41595 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL4057661 0.81 PDE10A (0.42) CYSLTR2CYSLTR1PDE10AHTR2B
SCHEMBL4058205 0.80 CYSLTR2 (0.39) CYSLTR2CYSLTR1PDE10APDE4APDE4B
SCHEMBL4060094 0.76 CYSLTR2 (0.39) CYSLTR2CYSLTR1PDE10APDE4APDE4B
SCHEMBL13765232 0.75 PDE10A (0.39) CYSLTR2CYSLTR1PDE10AALOX5APHTR2B
SCHEMBL4057651 0.75 CYSLTR2 (0.38) CYSLTR2CYSLTR1PDE10APDE4APDE4B
SCHEMBL4055028 0.75 MAPK14 (0.42) CYSLTR2CYSLTR1PDE10AALOX5HTR2B
SCHEMBL4049947 0.74 CYSLTR2 (0.39) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4057906 0.73 PDE10A (0.40) CYSLTR2CYSLTR1PDE10AALOX5
SCHEMBL4052947 0.72 CYSLTR2 (0.39) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4054259 0.71 LMNA (0.40)

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
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
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed