SCHEMBL4058205

SCHEMBL4058205

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PDE10A Q9Y233 2/20 0.39
LTB4R Q15722 4/20 0.35
ALOX5AP P20292 7/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALOX5 P09917 2/20 0.34
FFAR1 O14842 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL4049947 0.83 CYSLTR2 (0.39) CYSLTR2CYSLTR1ALOX5APFFAR1
SCHEMBL4058527 0.82 PDE10A (0.41) CYSLTR2CYSLTR1PDE10ALTB4RALOX5AP
SCHEMBL4052947 0.81 CYSLTR2 (0.39) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4053959 0.80 CYSLTR2 (0.36) CYSLTR2CYSLTR1ALOX5APALOX5
SCHEMBL13765255 0.80 CYSLTR2 (0.36) CYSLTR2CYSLTR1ALOX5APALOX5
SCHEMBL4050759 0.80 CYSLTR2 (0.39) CYSLTR2CYSLTR1PDE10AALOX5APALOX5
SCHEMBL13771077 0.79 CYSLTR2 (0.35) CYSLTR2CYSLTR1ALOX5APALOX5
SCHEMBL13765256 0.79 CYSLTR2 (0.35) CYSLTR2CYSLTR1ALOX5APALOX5
SCHEMBL4058907 0.79 CYSLTR2 (0.35) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL13765258 0.79 CYSLTR2 (0.35) 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 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