SCHEMBL10698945

SCHEMBL10698945

N#CC=Cc1cccc(OCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 14/20 0.48
CYSLTR2 Q9NS75 10/20 0.48
GPBAR1 Q8TDU6 5/20 0.44

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
SCHEMBL10698943 1.00 CYSLTR1 (0.48) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10481940 0.87 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10481937 0.87 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9033017 0.84 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9033024 0.84 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7007446 0.83 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7007449 0.83 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9051963 0.82 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9207522 0.82 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9207526 0.82 CYSLTR1 (0.45) 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
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 EP disclosed