SCHEMBL9757110

SCHEMBL9757110

N#Cc1nc2cc(C3OC3c3cccc(OCc4ccc5ccccc5n4)c3)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.47
GPBAR1 Q8TDU6 7/20 0.47
ALOX5 P09917 1/20 0.47
CYSLTR2 Q9NS75 5/20 0.46
PDE10A Q9Y233 1/20 0.43

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 0.80 CYSLTR1 (0.56) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9636896 0.79 ALOX5 (0.48) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9757153 0.79 GPBAR1 (0.52) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757112 0.78 CYSLTR1 (0.55) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9757085 0.76 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL9757086 0.76 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL9757063 0.74 CYSLTR1 (0.47) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL9760316 0.74 CYSLTR1 (0.54) CYSLTR1GPBAR1ALOX5CYSLTR2PDE10A
SCHEMBL10545699 0.72 CYSLTR1 (0.68) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL9756979 0.72 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2PDE10A

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