SCHEMBL9829622

SCHEMBL9829622

N#CC=Cc1cccc(Cc2cccc(OCc3ccc4ccccc4n3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.58
GPBAR1 Q8TDU6 5/20 0.58
CYSLTR2 Q9NS75 8/20 0.52
ALOX5 P09917 1/20 0.50

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
SCHEMBL9829628 1.00 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7007446 0.93 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7007449 0.93 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL10481940 0.91 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10481937 0.91 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9033017 0.88 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9033024 0.88 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9830528 0.86 ENPP2 (0.38) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9830533 0.86 ENPP2 (0.38) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9828682 0.84 CYSLTR1 (0.65) CYSLTR1GPBAR1CYSLTR2ALOX5

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-5051427-A Antiinflammatory agents and antiallergens RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-09-24 US disclosed
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-03-13 EP disclosed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 EP disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed