SCHEMBL8801952

SCHEMBL8801952

O=C1CCCc2cc(OCc3ccc4ccccc4n3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.62
MAOB P27338 14/20 0.62
PDE10A Q9Y233 1/20 0.55
ALOX5AP P20292 1/20 0.53
CYSLTR1 Q9Y271 3/20 0.52
CYSLTR2 Q9NS75 2/20 0.52
GPBAR1 Q8TDU6 2/20 0.51

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
SCHEMBL8144365 0.93 MAOA (0.64) MAOAMAOBCYSLTR1GPBAR1
SCHEMBL8019618 0.91 MAOA (0.62) MAOAMAOBPDE10AALOX5APCYSLTR1
SCHEMBL9490729 0.83 PDE10A (0.52) PDE10AALOX5APCYSLTR1CYSLTR2GPBAR1
SCHEMBL9490591 0.81 MAOB (0.68) MAOAMAOB
SCHEMBL8140420 0.80 PDE10A (0.49) MAOAMAOBPDE10ACYSLTR1CYSLTR2
SCHEMBL10726171 0.79 PDE10A (0.55) PDE10AALOX5APCYSLTR1CYSLTR2GPBAR1
SCHEMBL8129843 0.79 CYSLTR1 (0.53) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL7483348 0.78 PDE10A (0.60) PDE10AALOX5APCYSLTR1CYSLTR2GPBAR1
SCHEMBL226640 0.77 MAOB (1.00) MAOAMAOB
SCHEMBL8029278 0.77 GRM5 (0.54) MAOBPDE10ACYSLTR1CYSLTR2GPBAR1

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