SCHEMBL9757076

SCHEMBL9757076

Cc1c(C(=O)O)sc2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
CYSLTR1 Q9Y271 11/20 0.56
GPBAR1 Q8TDU6 3/20 0.56
PDE10A Q9Y233 1/20 0.56
CYSLTR2 Q9NS75 8/20 0.54
EDNRA P25101 1/20 0.50

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
SCHEMBL9757054 0.93 PDE10A (0.58) ALOX5CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL9757124 0.92 ALOX5 (0.58) ALOX5CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL9757031 0.91 CYSLTR1 (0.58) ALOX5CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL9757036 0.87 CYSLTR1 (0.53) ALOX5CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL9757119 0.84 PDE10A (0.54) ALOX5CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL9757233 0.84 CYSLTR1 (0.55) ALOX5CYSLTR1GPBAR1PDE10A
SCHEMBL9760846 0.83 ALOX5 (0.49) ALOX5CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL9757033 0.83 PDE10A (0.54) ALOX5CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL9757716 0.82 ALOX5AP (0.48) ALOX5CYSLTR1PDE10ACYSLTR2EDNRA
SCHEMBL9757258 0.81 CYSLTR1 (0.60) ALOX5CYSLTR1GPBAR1PDE10ACYSLTR2

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 4 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 claimed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US claimed
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