SCHEMBL2565880

SCHEMBL2565880

COc1cccc(CC(=O)N(Cc2ccccc2)c2ccc(OCc3ccc4ccccc4n3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.67
PDE10A Q9Y233 5/20 0.56
CYSLTR1 Q9Y271 7/20 0.52
GPBAR1 Q8TDU6 3/20 0.52
CYSLTR2 Q9NS75 5/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 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
SCHEMBL2567999 0.92 ALOX5 (0.61) ALOX5PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL7708880 0.85 PDE10A (0.56) ALOX5PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL2566742 0.83 ALOX5 (0.58) ALOX5PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL2564841 0.81 ALOX5 (0.56) ALOX5PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL2565993 0.81 PDE10A (0.55) ALOX5PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL2566267 0.81 ALOX5 (0.59) ALOX5PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL2565884 0.81 ALOX5 (0.56) ALOX5PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL2562668 0.80 PDE10A (0.59) ALOX5PDE10ACYSLTR1GPBAR1
SCHEMBL10692276 0.80 ALOX5 (1.00) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL2566006 0.78 PDE10A (0.61) ALOX5PDE10ACYSLTR1GPBAR1

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
WO-2011132048-A1 HETEROARYL COMPOUNDS AS PDE10A INHIBITORS GLENMARK PHARMACEUTICAL S.A. (CH) 2011-10-27 WO claimed
WO-2011132048-A1 HETEROARYL COMPOUNDS AS PDE10A INHIBITORS GLENMARK PHARMACEUTICAL S.A. (CH) 2011-10-27 WO disclosed