SCHEMBL9756987

SCHEMBL9756987

Cc1c(-c2nnn[nH]2)sc2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
CYSLTR1 Q9Y271 5/20 0.48
CYSLTR2 Q9NS75 4/20 0.48
ALOX5 P09917 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48

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
SCHEMBL9757192 0.93 PDE10A (0.51) PDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL9760846 0.81 ALOX5 (0.49) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL6089355 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757009 0.81 CYSLTR1 (0.51) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL7010321 0.80 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757033 0.79 PDE10A (0.54) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9818450 0.78 CYSLTR1 (0.52) CYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL9757076 0.78 ALOX5 (0.59) PDE10ACYSLTR1CYSLTR2ALOX5GPBAR1
SCHEMBL7008709 0.78 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7716669 0.78 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1

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