SCHEMBL9828545

SCHEMBL9828545

Oc1ccc(CCCc2cccc(OCc3ccc4ccccc4n3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.71
CYSLTR2 Q9NS75 7/20 0.71
GPBAR1 Q8TDU6 5/20 0.70
ALOX5 P09917 1/20 0.58

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
SCHEMBL9828549 0.98 CYSLTR1 (0.68) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9827567 0.87 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL10543161 0.86 CYSLTR1 (0.74) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9827765 0.86 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10871703 0.86 CYSLTR1 (0.74) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8506505 0.85 CYSLTR1 (0.81) CYSLTR1CYSLTR2GPBAR1ALOX5
Hydrochloric Acid SCHEMBL10767295 0.85 CYSLTR1 (0.72) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL10638992 0.84 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1
SCHEMBL15271902 0.84 GPBAR1 (0.77) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL10446852 0.83 CYSLTR1 (0.75) CYSLTR1CYSLTR2GPBAR1ALOX5

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