SCHEMBL9757033

SCHEMBL9757033

Cc1c(C#N)sc2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
GPBAR1 Q8TDU6 4/20 0.53
CYSLTR1 Q9Y271 4/20 0.53
ALOX5 P09917 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.49

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
SCHEMBL9757141 0.93 PDE10A (0.56) PDE10AGPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL9757031 0.83 CYSLTR1 (0.58) PDE10AGPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL9757076 0.83 ALOX5 (0.59) PDE10AGPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL9757124 0.82 ALOX5 (0.58) PDE10AGPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL9756987 0.79 PDE10A (0.49) PDE10AGPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL7005048 0.78 CYSLTR1 (0.66) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL7009755 0.77 CYSLTR1 (0.65) PDE10AGPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL10547803 0.75 CYSLTR1 (0.69) PDE10AGPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL9757233 0.75 CYSLTR1 (0.55) PDE10AGPBAR1CYSLTR1ALOX5
SCHEMBL9757054 0.75 PDE10A (0.58) PDE10AGPBAR1CYSLTR1ALOX5CYSLTR2

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