SCHEMBL1695170

SCHEMBL1695170

NC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1-c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.57
LGALS3 P17931 1/20 0.53
PDE4D Q08499 1/20 0.53
GPBAR1 Q8TDU6 3/20 0.53
CYSLTR1 Q9Y271 3/20 0.53
CYP1A2 P05177 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
SCHEMBL2564073 0.83 PDE10A (0.60) PDE10ALGALS3PDE4DGPBAR1CYSLTR1
SCHEMBL1423674 0.79 PDE10A (0.71) PDE10ALGALS3PDE4DCYSLTR1
SCHEMBL2566156 0.79 PDE10A (0.57) PDE10ALGALS3PDE4DCYP1A2
SCHEMBL1423981 0.77 PDE10A (0.67) PDE10ALGALS3PDE4DCYSLTR1
SCHEMBL31255319 0.76 PARP10 (0.60)
SCHEMBL3270032 0.75 GPBAR1 (0.78) PDE10AGPBAR1CYSLTR1
SCHEMBL3276740 0.75 ALOX5 (0.53) PDE10AGPBAR1CYSLTR1CYP1A2
SCHEMBL1423926 0.75 PDE10A (0.64) PDE10ALGALS3PDE4D
SCHEMBL202997 0.75 CYSLTR1 (0.81) GPBAR1CYSLTR1
SCHEMBL3296677 0.75 CYSLTR1 (0.69) PDE10AGPBAR1CYSLTR1CYP1A2

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-2012000519-A1 ARYL- AND HETEROARYLAMID DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-05 WO claimed
WO-2012000519-A1 ARYL- AND HETEROARYLAMID DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-05 WO disclosed