SCHEMBL9866291

SCHEMBL9866291

CCCCCN(C(=O)Nc1ccc(OCc2ccc3ccccc3n2)cc1)S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.52
CYSLTR2 Q9NS75 6/20 0.52
PDE10A Q9Y233 3/20 0.52
GPBAR1 Q8TDU6 3/20 0.52
ALOX5 P09917 2/20 0.49
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48
ADAMTS4 O75173 1/20 0.48

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
SCHEMBL9866285 0.79 PDE10A (0.62) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL9865885 0.78 GPBAR1 (0.57) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL9719811 0.77 GPBAR1 (0.62) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL7008427 0.77 GPBAR1 (0.64) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL9632136 0.77 PDE10A (0.54) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL9447067 0.76 AR (0.64) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL9865828 0.75 CYSLTR1 (0.62) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL9054564 0.75 CYSLTR1 (0.60) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9632132 0.74 ADAMTS4 (0.52) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL10544630 0.74 CYSLTR1 (0.84) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5

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 1 patent. 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