SCHEMBL9827475

SCHEMBL9827475

N#CCc1cccc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.57
CYSLTR2 Q9NS75 3/20 0.54
GPBAR1 Q8TDU6 4/20 0.54
PDE10A Q9Y233 1/20 0.51
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51
ALOX5AP P20292 1/20 0.51
ALOX5 P09917 1/20 0.49

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
SCHEMBL9301876 0.88 CYSLTR1 (0.68) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9828521 0.87 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9828870 0.85 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9828370 0.83 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9828376 0.81 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9828160 0.80 CYSLTR1 (0.72) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9828316 0.79 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9827184 0.78 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9827588 0.78 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL7009755 0.78 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5

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