SCHEMBL8636013

SCHEMBL8636013

[c]1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.63
GPBAR1 Q8TDU6 10/20 0.61
CYSLTR1 Q9Y271 7/20 0.61
CYSLTR2 Q9NS75 2/20 0.61
CYP1A2 P05177 2/20 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
SCHEMBL10512475 0.85 PDE10A (0.77) PDE10AGPBAR1CYSLTR1CYSLTR2CYP1A2
SCHEMBL8632478 0.84 CYSLTR1 (0.45) PDE10AGPBAR1CYSLTR1CYSLTR2
SCHEMBL693506 0.83 CYSLTR1 (0.76) PDE10AGPBAR1CYSLTR1CYSLTR2
SCHEMBL9844652 0.82 CYSLTR1 (0.69) PDE10AGPBAR1CYSLTR1CYSLTR2
SCHEMBL10512001 0.79 PDE10A (0.68) PDE10AGPBAR1CYSLTR1CYSLTR2CYP1A2
SCHEMBL7808312 0.78 CYSLTR1 (0.64) PDE10AGPBAR1CYSLTR1CYSLTR2CYP1A2
SCHEMBL8732702 0.78 PDE10A (0.66) PDE10AGPBAR1CYSLTR1CYSLTR2
SCHEMBL8734106 0.78 PDE10A (0.66) PDE10AGPBAR1CYSLTR1CYSLTR2
SCHEMBL2216320 0.77 ALOX5 (0.67) CYP1A2
SCHEMBL7717036 0.77 CYSLTR1 (0.55) PDE10AGPBAR1CYSLTR1CYSLTR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP claimed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP claimed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO claimed
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed