SCHEMBL9757016

SCHEMBL9757016

c1cc(COc2ccc3nc(-c4nnn[nH]4)oc3c2)cc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.52
GPBAR1 Q8TDU6 1/20 0.52
CYSLTR2 Q9NS75 2/20 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
SCHEMBL9757125 0.94 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757219 0.93 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9756990 0.92 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9757287 0.88 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757276 0.87 CYSLTR2 (0.49) CYSLTR1CYSLTR2
SCHEMBL9756983 0.87 CYSLTR2 (0.49) CYSLTR1CYSLTR2
SCHEMBL9757279 0.86 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9757264 0.85 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089355 0.85 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757114 0.85 CYSLTR2 (0.46) CYSLTR1CYSLTR2

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