SCHEMBL9018917

SCHEMBL9018917

c1ccc2nc(COc3ccc(NCC4CCCC4)cc3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.57
CYSLTR2 Q9NS75 6/20 0.57
ALOX5 P09917 8/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALOX5AP P20292 2/20 0.53
GPBAR1 Q8TDU6 1/20 0.51
PDE10A Q9Y233 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
SCHEMBL9867329 0.99 CYSLTR1 (0.56) CYSLTR1CYSLTR2ALOX5HDAC6ALOX5AP
SCHEMBL9865146 0.83 CYSLTR1 (0.59) CYSLTR1CYSLTR2ALOX5HDAC6ALOX5AP
SCHEMBL8965425 0.81 CYSLTR1 (0.64) CYSLTR1CYSLTR2ALOX5HDAC6ALOX5AP
SCHEMBL8503501 0.79 CYSLTR1 (0.66) CYSLTR1CYSLTR2ALOX5HDAC6ALOX5AP
SCHEMBL8965424 0.78 CYSLTR1 (0.59) CYSLTR1CYSLTR2ALOX5HDAC6ALOX5AP
SCHEMBL10438395 0.78 CYSLTR1 (0.65) CYSLTR1CYSLTR2ALOX5HDAC6ALOX5AP
SCHEMBL10438455 0.78 CYSLTR1 (0.65) CYSLTR1CYSLTR2ALOX5HDAC6ALOX5AP
SCHEMBL10438460 0.78 CYSLTR1 (0.65) CYSLTR1CYSLTR2ALOX5HDAC6ALOX5AP
SCHEMBL2560907 0.78 CYSLTR1 (0.67) CYSLTR1CYSLTR2ALOX5GPBAR1PDE10A
SCHEMBL8870875 0.77 ALOX5 (0.61) CYSLTR1CYSLTR2ALOX5HDAC6ALOX5AP

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