SCHEMBL9866191

SCHEMBL9866191

O=C(NS(=O)(=O)Cc1ccccc1)N(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 6/20 0.54
CYSLTR1 Q9Y271 6/20 0.54
ALOX5 P09917 9/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PDE10A Q9Y233 2/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 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
SCHEMBL9864843 0.88 PDE10A (0.52) CYSLTR2CYSLTR1ALOX5HDAC6PDE10A
SCHEMBL9866102 0.84 CYSLTR2 (0.52) CYSLTR2CYSLTR1ALOX5HDAC6PDE10A
SCHEMBL9866264 0.84 ALOX5 (0.49) CYSLTR2CYSLTR1ALOX5HDAC6PDE10A
SCHEMBL9866624 0.79 PDE10A (0.53) CYSLTR2CYSLTR1ALOX5HDAC6PDE10A
SCHEMBL9866064 0.77 GPBAR1 (0.57) CYSLTR2CYSLTR1ALOX5PDE10AGPBAR1
SCHEMBL9866170 0.76 GPBAR1 (0.56) CYSLTR2CYSLTR1ALOX5PDE10AGPBAR1
SCHEMBL7753530 0.74 CYSLTR1 (0.54) CYSLTR2CYSLTR1ALOX5HDAC6GPBAR1
SCHEMBL9121462 0.74 CYSLTR1 (0.54) CYSLTR2CYSLTR1ALOX5GPBAR1FFAR1
SCHEMBL9866614 0.74 ALOX5 (0.51) CYSLTR2CYSLTR1ALOX5HDAC6PDE10A
SCHEMBL9018918 0.74 PDE10A (0.57) CYSLTR2CYSLTR1ALOX5HDAC6PDE10A

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