SCHEMBL9757066

SCHEMBL9757066

CCCOC(=O)c1nc2c(OCc3ccc(OCc4ccc5ccccc5n4)cc3)c(Cl)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.46
CYSLTR2 Q9NS75 8/20 0.46
ALOX5 P09917 2/20 0.45
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
GPBAR1 Q8TDU6 3/20 0.43
PPARG P37231 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL9757064 0.87 GPBAR1 (0.53) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9635483 0.84 CYSLTR1 (0.45) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9757243 0.78 CYSLTR1 (0.54) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9756961 0.77 FFAR1 (0.48) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9757095 0.75 CYSLTR1 (0.55) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9617594 0.71 CYSLTR1 (0.56) CYSLTR1CYSLTR2ALOX5GPBAR1PDE10A
SCHEMBL9757109 0.70 CYSLTR1 (0.54) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9756957 0.70 ALOX5 (0.46) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9635474 0.70 ALOX5 (0.54) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9757088 0.70 ALOX5 (0.58) CYSLTR1CYSLTR2ALOX5GPBAR1

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