SCHEMBL8801512

SCHEMBL8801512

O=C1CCSc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.53
GPBAR1 Q8TDU6 1/20 0.53
ALOX5 P09917 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.48

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
SCHEMBL8137930 0.91 MAOB (0.65) CYSLTR1GPBAR1ALOX5MAOAMAOB
SCHEMBL8801610 0.84 MAOA (0.56) CYSLTR1GPBAR1ALOX5MAOAMAOB
SCHEMBL8800863 0.83 MAOB (0.67) CYSLTR1MAOAMAOBCYSLTR2
SCHEMBL8801120 0.82 CYSLTR1 (0.51) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8144811 0.81 MAOB (0.62) CYSLTR1GPBAR1MAOAMAOBCYSLTR2
SCHEMBL8140431 0.80 CYSLTR1 (0.53) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8139911 0.79 MAOA (0.51) CYSLTR1GPBAR1ALOX5MAOAMAOB
SCHEMBL8802992 0.77 CYSLTR1 (0.54) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8801669 0.77 CYSLTR1 (0.54) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8131552 0.77 ALOX5 (0.50) CYSLTR1GPBAR1ALOX5MAOAMAOB

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