SCHEMBL9757258

SCHEMBL9757258

O=C(O)c1cc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc2s1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.60
GPBAR1 Q8TDU6 3/20 0.60
CYSLTR2 Q9NS75 7/20 0.57
ALOX5 P09917 1/20 0.57
PDE10A Q9Y233 1/20 0.54

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
SCHEMBL8801668 0.93 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
SCHEMBL9756934 0.92 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
SCHEMBL9757208 0.92 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
SCHEMBL9756965 0.90 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9757134 0.83 CYSLTR1 (0.58) CYSLTR1GPBAR1ALOX5PDE10A
SCHEMBL9756941 0.83 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
SCHEMBL7711072 0.82 GPBAR1 (0.80) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9757459 0.82 ALOX5 (0.47) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7716691 0.82 CYSLTR1 (0.88) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9757076 0.81 ALOX5 (0.59) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A

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