SCHEMBL9018918

SCHEMBL9018918

CN(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.57
CYSLTR1 Q9Y271 6/20 0.57
CYSLTR2 Q9NS75 5/20 0.57
ALOX5 P09917 6/20 0.54
HDAC6 Q9UBN7 1/20 0.54
GPBAR1 Q8TDU6 2/20 0.51
ALOX5AP P20292 1/20 0.50

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
SCHEMBL9866624 0.79 PDE10A (0.53) PDE10ACYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL8503501 0.79 CYSLTR1 (0.66) PDE10ACYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL8965014 0.78 CYSLTR1 (0.59) CYSLTR1CYSLTR2ALOX5HDAC6GPBAR1
SCHEMBL8965424 0.78 CYSLTR1 (0.59) PDE10ACYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL9864843 0.78 PDE10A (0.52) PDE10ACYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL10438455 0.78 CYSLTR1 (0.65) PDE10ACYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL10438395 0.78 CYSLTR1 (0.65) PDE10ACYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL10438460 0.78 CYSLTR1 (0.65) PDE10ACYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL8965425 0.77 CYSLTR1 (0.64) PDE10ACYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL10521151 0.76 ALOX5 (0.69) ALOX5HDAC6

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
EP-0414019-B1 Subsituted N-(quinolin-2-yl-methoxy)benzylsulfonylureas BAYER AG (DE) 1996-05-29 EP disclosed
US-5179106-A SUBSTITUTED N-(QUINOLIN-2-YL-METHOXY) BENZYL-SULPHONYLUREA LEUKOTRIENE SYNTHESIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1993-01-12 US disclosed