SCHEMBL9635531

SCHEMBL9635531

O=C(Oc1ccc(OCc2ccc3ccccc3n2)cc1CCl)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.60
GPBAR1 Q8TDU6 3/20 0.60
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
PDE10A Q9Y233 2/20 0.52
CYSLTR2 Q9NS75 4/20 0.51

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
SCHEMBL9635469 0.91 CYSLTR1 (0.61) CYSLTR1GPBAR1FFAR1AKR1B1PDE10A
SCHEMBL9757042 0.80 CYSLTR1 (0.52) CYSLTR1GPBAR1FFAR1AKR1B1PDE10A
SCHEMBL9635505 0.77 CYSLTR1 (0.48) CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL422355 0.76 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2
SCHEMBL30444017 0.76 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7801672 0.76 GPBAR1 (0.85) CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL28031105 0.75 CYSLTR1 (0.80) CYSLTR1GPBAR1CYSLTR2
Hydrochloric Acid SCHEMBL7006935 0.75 CYSLTR1 (0.97) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7715799 0.75 CYSLTR1 (0.86) CYSLTR1GPBAR1FFAR1AKR1B1CYSLTR2
SCHEMBL9129064 0.75 GPBAR1 (0.82) CYSLTR1GPBAR1FFAR1AKR1B1PDE10A

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 7 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
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
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