SCHEMBL8802132

SCHEMBL8802132

CC1(C)C(=O)Nc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.55
CYSLTR1 Q9Y271 3/20 0.55
ALOX5 P09917 1/20 0.55
CYSLTR2 Q9NS75 1/20 0.52
MAOB P27338 1/20 0.51

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
SCHEMBL8800305 0.92 CYSLTR1 (0.52) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL8801851 0.86 CYSLTR1 (0.62) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL8801917 0.85 CYSLTR1 (0.54) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL8137925 0.84 MAOB (0.56) GPBAR1CYSLTR1ALOX5CYSLTR2MAOB
SCHEMBL8801320 0.83 GPBAR1 (0.54) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL8801840 0.81 GPBAR1 (0.53) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL8143321 0.80 CYSLTR1 (0.53) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL8802429 0.80 CYSLTR1 (0.61) GPBAR1CYSLTR1ALOX5CYSLTR2MAOB
SCHEMBL10547803 0.78 CYSLTR1 (0.69) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL8800332 0.77 CYSLTR1 (0.51) GPBAR1CYSLTR1ALOX5CYSLTR2

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