SCHEMBL9757233

SCHEMBL9757233

COC(=O)c1sc2ccc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)cc2c1C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.55
PDE10A Q9Y233 1/20 0.53
ALOX5 P09917 3/20 0.52
ALOX5AP P20292 7/20 0.50
FFAR1 O14842 1/20 0.49
AKR1B1 P15121 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.47

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
SCHEMBL9757031 0.93 CYSLTR1 (0.58) CYSLTR1PDE10AALOX5ALOX5APGPBAR1
SCHEMBL9757054 0.91 PDE10A (0.58) CYSLTR1PDE10AALOX5ALOX5APFFAR1
SCHEMBL9757119 0.90 PDE10A (0.54) CYSLTR1PDE10AALOX5ALOX5APFFAR1
SCHEMBL9757076 0.84 ALOX5 (0.59) CYSLTR1PDE10AALOX5GPBAR1
SCHEMBL9757426 0.83 PDE10A (0.45) CYSLTR1PDE10AALOX5FFAR1AKR1B1
SCHEMBL9757124 0.83 ALOX5 (0.58) CYSLTR1PDE10AALOX5GPBAR1
SCHEMBL9757141 0.82 PDE10A (0.56) CYSLTR1PDE10AALOX5GPBAR1
SCHEMBL9757134 0.82 CYSLTR1 (0.58) CYSLTR1PDE10AALOX5ALOX5APFFAR1
SCHEMBL9757716 0.80 ALOX5AP (0.48) CYSLTR1PDE10AALOX5ALOX5AP
SCHEMBL9756934 0.77 CYSLTR1 (0.60) CYSLTR1PDE10AALOX5FFAR1AKR1B1

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