SCHEMBL8617516

SCHEMBL8617516

O=C(O)c1ccc2c(ccn2Cc2cccc(OCc3ccc4ccccc4n3)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.64
GPBAR1 Q8TDU6 4/20 0.64
CYSLTR2 Q9NS75 7/20 0.56
ALOX5 P09917 1/20 0.53

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
SCHEMBL8538426 0.93 CYSLTR1 (0.65) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8616407 0.91 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8539273 0.90 GPBAR1 (0.65) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9203135 0.90 CYSLTR1 (0.65) CYSLTR1GPBAR1
SCHEMBL9199593 0.85 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8538241 0.84 CYSLTR1 (0.67) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8538239 0.83 GPBAR1 (0.67) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8588067 0.83 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9565378 0.82 GPBAR1 (0.50) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL15712890 0.82 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2ALOX5

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-0539117-B1 Compounds useful as leukotriene antagonists LILLY CO ELI (GB) 1998-03-11 EP disclosed
US-5410061-A Leukotriene antagonist LILLY INDUSTRIES LIMITED (GB) 1995-04-25 US disclosed
EP-0539117-A1 Compounds useful as leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1993-04-28 EP disclosed