SCHEMBL9260437

SCHEMBL9260437

O=C(CCc1ccc(C2CC2)cc1)c1cccc(/C=C/c2ccc3sc(Cl)c(Cl)c3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 14/20 0.48
▸ CYSLTR1 Q9Y271 14/20 0.48
▸ F2 P00734 1/20 0.32
▸ F10 P00742 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
SCHEMBL8113189 1.00 CYSLTR2 (0.48) CYSLTR2CYSLTR1F2F10
SCHEMBL8123334 0.81 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL8120911 0.76 CYSLTR2 (0.50) CYSLTR2CYSLTR1
SCHEMBL8120908 0.76 CYSLTR2 (0.50) CYSLTR2CYSLTR1
SCHEMBL8121807 0.74 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL8123804 0.74 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL9255780 0.71 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL9255773 0.71 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL8595799 0.66 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL8595801 0.66 CYSLTR2 (0.55) CYSLTR2CYSLTR1

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
US-5472964-A Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1995-12-05 — — US disclosed
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