SCHEMBL9635532

SCHEMBL9635532

C1=C(c2nnn[nH]2)Oc2cc(COCc3cc(OCc4ccc5ccccc5n4)ccc3OCCCc3nnn[nH]3)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.40
CYSLTR2 Q9NS75 9/20 0.40
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL9635499 0.84 CYSLTR1 (0.40) CYSLTR1CYSLTR2
SCHEMBL9757024 0.82 CYSLTR1 (0.42) CYSLTR1CYSLTR2
SCHEMBL9635637 0.78 CYSLTR1 (0.37) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10608048 0.74 CYSLTR1 (0.54) CYSLTR1CYSLTR2
SCHEMBL9636824 0.74 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10546327 0.73 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9818417 0.73 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10608246 0.73 CYSLTR1 (0.70) CYSLTR1CYSLTR2GPBAR1
SCHEMBL1224225 0.72 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1
Hydrochloric Acid SCHEMBL10609777 0.71 CYSLTR1 (0.66) 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
US-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US 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