SCHEMBL7808129

SCHEMBL7808129

N#Cc1cccc2c1COc1ccc(OCc3ccc4cc(F)c(Cl)cc4n3)cc1C2O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.38
CYSLTR1 Q9Y271 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
ALOX5AP P20292 3/20 0.33
ALOX5 P09917 1/20 0.33
MRGPRX4 Q96LA9 3/20 0.33
GPBAR1 Q8TDU6 1/20 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
SCHEMBL7813563 0.88 LTB4R (0.41) LTB4RCYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL7810406 0.86 CYSLTR1 (0.36) CYSLTR1CYSLTR2ALOX5APMRGPRX4GPBAR1
SCHEMBL7801372 0.86 LTB4R (0.43) LTB4RCYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL4052528 0.83 LTB4R (0.43) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL7806836 0.81 LTB4R (0.38) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL4052805 0.76 LTB4R (0.46) LTB4RCYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL7810780 0.76 LTB4R (0.39) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL5333781 0.75 PDE10A (0.40) LTB4RCYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL7801623 0.74 CYSLTR1 (0.37) CYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL4050972 0.74 LTB4R (0.45) LTB4RCYSLTR1CYSLTR2ALOX5APALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed