SCHEMBL9866624

SCHEMBL9866624

CN(C(=O)N(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.53
ALOX5 P09917 12/20 0.52
HDAC6 Q9UBN7 1/20 0.51
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
GPBAR1 Q8TDU6 1/20 0.47

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
SCHEMBL9864843 0.84 PDE10A (0.52) PDE10AALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL9018918 0.79 PDE10A (0.57) PDE10AALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL9866191 0.79 CYSLTR2 (0.54) PDE10AALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL9866102 0.78 CYSLTR2 (0.52) PDE10AALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL9866264 0.78 ALOX5 (0.49) PDE10AALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL9866614 0.75 ALOX5 (0.51) PDE10AALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL8965014 0.72 CYSLTR1 (0.59) ALOX5HDAC6CYSLTR2CYSLTR1GPBAR1
SCHEMBL9137854 0.72 GPBAR1 (0.66) PDE10AALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL9474669 0.72 ALOX5 (0.64) ALOX5HDAC6CYSLTR2CYSLTR1GPBAR1
SCHEMBL9135133 0.72 GPBAR1 (0.66) PDE10AALOX5HDAC6CYSLTR2CYSLTR1

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 claimed
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