SCHEMBL9746294

SCHEMBL9746294

CCN(C(=O)O)c1ccccc1CC=Cc1cccc(OCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 10/20 0.47
▸ CYSLTR2 Q9NS75 9/20 0.47
▸ GPBAR1 Q8TDU6 1/20 0.41

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
SCHEMBL9747322 0.85 — —
SCHEMBL9203196 0.83 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9203199 0.83 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9210757 0.83 CYSLTR2 (0.50) CYSLTR1CYSLTR2
SCHEMBL9119515 0.82 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9119519 0.82 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9119725 0.82 CYSLTR1 (0.51) CYSLTR1CYSLTR2
SCHEMBL9119729 0.82 CYSLTR1 (0.51) CYSLTR1CYSLTR2
SCHEMBL9209846 0.80 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9209854 0.80 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1

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-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 — — US disclosed
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