SCHEMBL9828870

SCHEMBL9828870

OCc1cccc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.76
GPBAR1 Q8TDU6 5/20 0.75
CYSLTR2 Q9NS75 4/20 0.58
FFAR1 O14842 1/20 0.57
AKR1B1 P15121 1/20 0.57
ALOX5 P09917 2/20 0.55
PDE10A Q9Y233 1/20 0.54

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
SCHEMBL9827588 0.92 CYSLTR1 (0.65) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL3076102 0.87 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL4848317 0.86 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
SCHEMBL30443879 0.86 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
SCHEMBL26632681 0.85 CYSLTR1 (0.75) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL9827475 0.85 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL26771316 0.85 CYSLTR1 (0.82) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL9828160 0.85 CYSLTR1 (0.72) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL8735648 0.84 CYSLTR1 (0.78) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL7007747 0.84 CYSLTR1 (0.95) 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