SCHEMBL9635655

SCHEMBL9635655

O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccccc1OCc1ccc2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 16/20 0.52
GPR35 Q9HC97 1/20 0.44
CYSLTR2 Q9NS75 8/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PGR P06401 1/20 0.42
HTR1A P08908 1/20 0.42
AR P10275 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
ADORA1 P30542 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GPR17 Q13304 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL9637090 0.88 CYSLTR1 (0.57) CYSLTR1CYSLTR2ABCC4ABCB11PGR
SCHEMBL9635475 0.87 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC4ABCB11PGR
SCHEMBL9757070 0.86 CYSLTR1 (0.44) CYSLTR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL9635790 0.79 CYSLTR1 (0.58) CYSLTR1CYSLTR2
SCHEMBL9318797 0.76 CYSLTR2 (0.48) CYSLTR1GPR35CYSLTR2TP53
SCHEMBL6961638 0.76 GPR35 (0.59) CYSLTR1GPR35CYSLTR2ABCC4ABCB11
SCHEMBL5355934 0.76 CYSLTR2 (0.56) CYSLTR1GPR35CYSLTR2ABCC4ABCB11
SCHEMBL9760136 0.74 CYSLTR1 (0.52) CYSLTR1CYSLTR2KDM4EMEN1NPC1
SCHEMBL10870251 0.74 CYSLTR2 (0.61) CYSLTR1GPR35CYSLTR2ABCC4ABCB11
SCHEMBL9757169 0.73 GPBAR1 (0.48) CYSLTR1KDM4EMEN1NPC1ALDH1A1

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