SCHEMBL9635622

SCHEMBL9635622

O=c1cc(-c2nnn[nH]2)oc2cc(CCc3cccc(OCc4ccc5ccccc5n4)c3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.49
CYSLTR2 Q9NS75 5/20 0.49
GPBAR1 Q8TDU6 1/20 0.46

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
SCHEMBL9635514 0.94 CYSLTR1 (0.47) CYSLTR1CYSLTR2
SCHEMBL7635695 0.93 CYSLTR1 (0.49) CYSLTR1GPBAR1
SCHEMBL9635528 0.86 CYSLTR1 (0.46) CYSLTR1CYSLTR2
SCHEMBL9637051 0.84 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757219 0.82 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9829921 0.81 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9827514 0.80 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9635790 0.78 CYSLTR1 (0.58) CYSLTR1CYSLTR2
SCHEMBL10420344 0.78 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9829042 0.78 CYSLTR1 (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US claimed
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