SCHEMBL9757063

SCHEMBL9757063

N#Cc1nc2ccc(OCc3cc(OCc4ccc5ccccc5n4)ccc3O)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.47
CYSLTR2 Q9NS75 3/20 0.47
PDE10A Q9Y233 3/20 0.47
ALOX5AP P20292 1/20 0.46
GPBAR1 Q8TDU6 7/20 0.46
CYP1A2 P05177 1/20 0.42

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
SCHEMBL9757238 0.84 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757042 0.84 CYSLTR1 (0.52) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL9760316 0.83 CYSLTR1 (0.54) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL9757153 0.81 GPBAR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9637044 0.81 CYSLTR1 (0.46) CYSLTR1CYSLTR2PDE10AALOX5APGPBAR1
SCHEMBL9757085 0.79 CYSLTR1 (0.51) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL9757086 0.79 CYSLTR1 (0.51) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL9757410 0.78 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757452 0.77 CYSLTR1 (0.53) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL9760912 0.76 CYSLTR1 (0.48) 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 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