SCHEMBL9635545

SCHEMBL9635545

N#Cc1cc(=O)c2ccc(COc3cccc(OCc4ccc5ccccc5n4)c3)cc2o1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.50
GPBAR1 Q8TDU6 5/20 0.50
CYSLTR2 Q9NS75 1/20 0.47

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
SCHEMBL9636904 0.94 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9636900 0.90 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9635494 0.86 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9635506 0.86 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9636896 0.86 ALOX5 (0.48) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9635564 0.83 CYSLTR1 (0.47) CYSLTR1GPBAR1
SCHEMBL9637044 0.83 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9635460 0.81 CYSLTR1 (0.47) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757153 0.80 GPBAR1 (0.52) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10463718 0.80 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed