SCHEMBL8736103

SCHEMBL8736103

CS(=O)(=O)OCc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.62
PDE10A Q9Y233 1/20 0.54
CYSLTR2 Q9NS75 2/20 0.53
GPBAR1 Q8TDU6 1/20 0.53
ALOX5 P09917 1/20 0.52

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
SCHEMBL8736505 0.90 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL8734305 0.90 CYSLTR1 (0.61) CYSLTR1PDE10ACYSLTR2GPBAR1
SCHEMBL9828316 0.86 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1ALOX5
Alcohol SCHEMBL9827583 0.82 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL10512475 0.81 PDE10A (0.77) CYSLTR1PDE10ACYSLTR2GPBAR1
SCHEMBL8735648 0.81 CYSLTR1 (0.78) CYSLTR1PDE10ACYSLTR2GPBAR1
SCHEMBL26771412 0.80 CYSLTR1 (0.54) CYSLTR1PDE10ACYSLTR2GPBAR1ALOX5
SCHEMBL7092083 0.80 CYSLTR1 (0.61) CYSLTR1PDE10ACYSLTR2GPBAR1ALOX5
SCHEMBL8734300 0.79 ALOX5 (0.59) CYSLTR1PDE10ACYSLTR2GPBAR1ALOX5
SCHEMBL8736506 0.79 CYSLTR1 (0.42) CYSLTR1ALOX5

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-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO disclosed