SCHEMBL8801736

SCHEMBL8801736

O=C1CCc2cc(OC(=O)c3cccc(OCc4ccc5ccccc5n4)c3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.58
GPBAR1 Q8TDU6 5/20 0.57
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
CYSLTR2 Q9NS75 2/20 0.46
ALOX5 P09917 1/20 0.46
ALOX5AP P20292 2/20 0.44

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
SCHEMBL8801126 0.94 CYSLTR1 (0.59) CYSLTR1GPBAR1MAOAMAOBCYSLTR2
SCHEMBL8800859 0.92 GPBAR1 (0.53) CYSLTR1GPBAR1MAOAMAOBCYSLTR2
SCHEMBL8801341 0.85 GPBAR1 (0.54) CYSLTR1GPBAR1MAOAMAOBCYSLTR2
SCHEMBL8803327 0.85 CYSLTR1 (0.57) CYSLTR1GPBAR1MAOAMAOBCYSLTR2
SCHEMBL8802429 0.81 CYSLTR1 (0.61) CYSLTR1GPBAR1MAOBCYSLTR2ALOX5
SCHEMBL8801610 0.80 MAOA (0.56) CYSLTR1GPBAR1MAOAMAOBCYSLTR2
SCHEMBL8801851 0.80 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2ALOX5ALOX5AP
SCHEMBL8801970 0.79 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8801873 0.78 MAOB (0.58) CYSLTR1MAOAMAOBCYSLTR2ALOX5AP
SCHEMBL8800294 0.77 GPBAR1 (0.53) CYSLTR1GPBAR1MAOAMAOBCYSLTR2

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
EP-0799826-A1 Heteroaryl substituted phenylene derivatives, their preparation and their use as leukotriene receptor antagonists KOWA CO. LTD. (JP) 1997-10-08 EP disclosed