SCHEMBL9757243

SCHEMBL9757243

CCCOC(=O)c1nc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.54
GPBAR1 Q8TDU6 5/20 0.54
ALOX5 P09917 1/20 0.54
CYSLTR2 Q9NS75 8/20 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
SCHEMBL9757272 0.86 CYSLTR1 (0.60) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9757088 0.86 ALOX5 (0.58) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9635474 0.84 ALOX5 (0.54) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9757109 0.81 CYSLTR1 (0.54) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9757095 0.79 CYSLTR1 (0.55) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9617594 0.79 CYSLTR1 (0.56) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9757066 0.78 CYSLTR1 (0.46) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9635690 0.75 ALOX5 (0.55) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9757065 0.75 CYSLTR1 (0.51) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9757087 0.75 CYSLTR1 (0.54) CYSLTR1GPBAR1ALOX5CYSLTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed