SCHEMBL9757054

SCHEMBL9757054

Cc1c(C(=O)O)sc2ccc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.58
GPBAR1 Q8TDU6 2/20 0.54
ALOX5 P09917 3/20 0.54
CYSLTR1 Q9Y271 6/20 0.54
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
EDNRA P25101 1/20 0.52
CYSLTR2 Q9NS75 2/20 0.51
ALOX5AP P20292 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
SCHEMBL9757076 0.93 ALOX5 (0.59) PDE10AGPBAR1ALOX5CYSLTR1EDNRA
SCHEMBL9757119 0.92 PDE10A (0.54) PDE10AGPBAR1ALOX5CYSLTR1FFAR1
SCHEMBL9757233 0.91 CYSLTR1 (0.55) PDE10AGPBAR1ALOX5CYSLTR1FFAR1
SCHEMBL9757716 0.89 ALOX5AP (0.48) PDE10AALOX5CYSLTR1EDNRACYSLTR2
SCHEMBL9757226 0.85 EDNRA (0.48) PDE10ACYSLTR1EDNRACYSLTR2
SCHEMBL9757227 0.85 EDNRA (0.48) PDE10ACYSLTR1EDNRACYSLTR2
SCHEMBL9757236 0.85 GPBAR1 (0.53) PDE10AGPBAR1ALOX5CYSLTR1FFAR1
SCHEMBL9757224 0.85 EDNRA (0.48) PDE10AGPBAR1ALOX5CYSLTR1EDNRA
SCHEMBL9757124 0.84 ALOX5 (0.58) PDE10AGPBAR1ALOX5CYSLTR1CYSLTR2
SCHEMBL9757031 0.84 CYSLTR1 (0.58) PDE10AGPBAR1ALOX5CYSLTR1CYSLTR2

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