SCHEMBL9490729

SCHEMBL9490729

ON=C1CCCc2cc(OCc3ccc4ccccc4n3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.52
ALOX5AP P20292 3/20 0.51
CYSLTR1 Q9Y271 7/20 0.49
GPBAR1 Q8TDU6 7/20 0.49
CYSLTR2 Q9NS75 3/20 0.49

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
SCHEMBL8801952 0.83 MAOA (0.62) PDE10AALOX5APCYSLTR1GPBAR1CYSLTR2
SCHEMBL9490302 0.82 MAOA (0.54)
SCHEMBL9489485 0.79 MAOA (0.66)
SCHEMBL8144365 0.77 MAOA (0.64) CYSLTR1GPBAR1
SCHEMBL8019618 0.76 MAOA (0.62) PDE10AALOX5APCYSLTR1GPBAR1CYSLTR2
SCHEMBL10726171 0.76 PDE10A (0.55) PDE10AALOX5APCYSLTR1GPBAR1CYSLTR2
SCHEMBL7483348 0.75 PDE10A (0.60) PDE10AALOX5APCYSLTR1GPBAR1CYSLTR2
SCHEMBL8801596 0.75 PDE10A (0.53) PDE10AALOX5APCYSLTR1GPBAR1CYSLTR2
Hydrochloric Acid SCHEMBL7532657 0.74 PDE10A (0.58) PDE10AALOX5APCYSLTR1GPBAR1CYSLTR2
SCHEMBL10512475 0.74 PDE10A (0.77) PDE10ACYSLTR1GPBAR1CYSLTR2

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