SCHEMBL2564073

SCHEMBL2564073

Nc1ccc(OCc2ccc3ccccc3n2)cc1-c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.60
LGALS3 P17931 1/20 0.58
PDE4D Q08499 1/20 0.58
CYP1A2 P05177 1/20 0.55
CYSLTR2 Q9NS75 2/20 0.55
CYSLTR1 Q9Y271 2/20 0.55
GPBAR1 Q8TDU6 1/20 0.55

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
SCHEMBL1423674 0.84 PDE10A (0.71) PDE10ALGALS3PDE4DCYSLTR2CYSLTR1
SCHEMBL1695170 0.83 PDE10A (0.57) PDE10ALGALS3PDE4DCYP1A2CYSLTR1
SCHEMBL1423605 0.82 PDE10A (0.60) PDE10ALGALS3PDE4DCYSLTR2CYSLTR1
SCHEMBL2566156 0.81 PDE10A (0.57) PDE10ALGALS3PDE4DCYP1A2
SCHEMBL1423981 0.81 PDE10A (0.67) PDE10ALGALS3PDE4DCYSLTR2CYSLTR1
SCHEMBL1423926 0.79 PDE10A (0.64) PDE10ALGALS3PDE4D
SCHEMBL9719806 0.79 PDE10A (0.63) PDE10ACYP1A2CYSLTR2CYSLTR1GPBAR1
SCHEMBL8485790 0.79 PDE10A (0.63) PDE10ACYP1A2CYSLTR2CYSLTR1GPBAR1
SCHEMBL1423537 0.78 PDE10A (0.64) PDE10ALGALS3PDE4D
SCHEMBL1423652 0.78 PDE10A (0.64) PDE10ALGALS3PDE4D

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