SCHEMBL8801993

SCHEMBL8801993

NOC1CCCc2cc(OCc3ccc4ccccc4n3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.51
CYSLTR1 Q9Y271 7/20 0.50
GPBAR1 Q8TDU6 5/20 0.50
CYSLTR2 Q9NS75 3/20 0.50
CYP1A2 P05177 1/20 0.48
ALOX5AP P20292 4/20 0.48
IDO1 P14902 1/20 0.46
ALOX5 P09917 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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 0.85 PDE10A (0.53) PDE10ACYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL9490780 0.82 CYSLTR1 (0.50) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL9492165 0.81 CYSLTR1 (0.51) PDE10ACYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL9493090 0.79 ALOX5 (0.50) CYSLTR1GPBAR1ALOX5HDAC6
SCHEMBL10682896 0.78 ALOX5AP (0.54) PDE10ACYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL8965369 0.75 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2ALOX5APALOX5
Hydroxyamine SCHEMBL8967003 0.75 CYSLTR1 (0.43) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL9598096 0.75 ALOX5 (0.52) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7483348 0.74 PDE10A (0.60) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
Hydrochloric Acid SCHEMBL7532657 0.73 PDE10A (0.58) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772594-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1997-05-14 EP disclosed
US-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed