SCHEMBL9490780

SCHEMBL9490780

ONC1CCCc2cc(OCc3ccc4ccccc4n3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.50
GPBAR1 Q8TDU6 5/20 0.50
PDE10A Q9Y233 2/20 0.50
ALOX5AP P20292 4/20 0.49
CYSLTR2 Q9NS75 3/20 0.49
CYP1A2 P05177 1/20 0.48
ALOX5 P09917 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL8801596 0.86 PDE10A (0.53) CYSLTR1GPBAR1PDE10AALOX5APCYSLTR2
SCHEMBL9492132 0.83 HRH3 (0.47) ALOX5AP
SCHEMBL9492340 0.83 GAA (0.48) ALOX5
SCHEMBL8801993 0.82 PDE10A (0.51) CYSLTR1GPBAR1PDE10AALOX5APCYSLTR2
SCHEMBL9492165 0.80 CYSLTR1 (0.51) CYSLTR1GPBAR1PDE10AALOX5APCYSLTR2
SCHEMBL9487573 0.80 TAOK1 (0.53)
SCHEMBL10682896 0.80 ALOX5AP (0.54) CYSLTR1GPBAR1PDE10AALOX5APCYSLTR2
SCHEMBL9493090 0.79 ALOX5 (0.50) CYSLTR1GPBAR1ALOX5HDAC6
SCHEMBL8965369 0.77 CYSLTR1 (0.49) CYSLTR1GPBAR1ALOX5APCYSLTR2ALOX5
Hydroxyamine SCHEMBL8967003 0.74 CYSLTR1 (0.43) CYSLTR1GPBAR1PDE10AALOX5APCYSLTR2

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-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed