SCHEMBL9865828

SCHEMBL9865828

CCCCCNc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.62
GPBAR1 Q8TDU6 5/20 0.62
CYSLTR2 Q9NS75 5/20 0.62
ALOX5 P09917 3/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
MEN1 O00255 1/20 0.54
GMNN O75496 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 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
SCHEMBL9719789 0.96 CYSLTR1 (0.64) CYSLTR1GPBAR1CYSLTR2ALOX5MAPK1
SCHEMBL10544630 0.84 CYSLTR1 (0.84) CYSLTR1GPBAR1CYSLTR2ALOX5MAPK1
SCHEMBL9719800 0.83 CYSLTR1 (0.70) CYSLTR1GPBAR1CYSLTR2ALOX5MAPK1
SCHEMBL1695058 0.80 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
Ammonia Solution, Strong SCHEMBL9585183 0.80 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2ALOX5MAPK1
SCHEMBL29587847 0.80 CYSLTR1 (0.68) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
SCHEMBL9447067 0.79 AR (0.64) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
SCHEMBL2560907 0.79 CYSLTR1 (0.67) CYSLTR1GPBAR1CYSLTR2ALOX5TP53
SCHEMBL3271578 0.78 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A
SCHEMBL29426330 0.77 CYSLTR1 (0.78) CYSLTR1GPBAR1CYSLTR2ALOX5MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045547-A Leukotriene-inhibiting substituted (quinolin-2-yl-methoxy)phenyl-N,N'-sulphonylureas and use thereas BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
EP-0387610-A2 Substituted (quinolin-2-yl methoxy)phenyl-N,N'-sulphonyl ureas, processes for their preparation and their use in medicines BAYER AG (DE) 1990-09-19 EP disclosed