SCHEMBL9757216

SCHEMBL9757216

N#CCCOc1ccc(OCc2ccc3ccccc3n2)cc1COCc1ccc2nc(-c3nnn[nH]3)oc2c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.38
CYSLTR2 Q9NS75 2/20 0.38

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
SCHEMBL9757024 0.89 CYSLTR1 (0.42) CYSLTR1CYSLTR2
SCHEMBL9757127 0.85 CYSLTR1 (0.46) CYSLTR1CYSLTR2
SCHEMBL9756990 0.83 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9757125 0.82 CYSLTR1 (0.51) CYSLTR1CYSLTR2
SCHEMBL9757215 0.82 ALOX5AP (0.38) CYSLTR1CYSLTR2
SCHEMBL9757016 0.80 CYSLTR1 (0.52) CYSLTR1CYSLTR2
SCHEMBL9757219 0.78 CYSLTR1 (0.52) CYSLTR1CYSLTR2
SCHEMBL9635637 0.78 CYSLTR1 (0.37) CYSLTR1CYSLTR2
SCHEMBL9757279 0.77 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9760912 0.76 CYSLTR1 (0.48) CYSLTR1CYSLTR2

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