SCHEMBL2631114

SCHEMBL2631114

O=CCN1CC2(C1)CN(c1nccnc1OC1CCN(c3ccc4ccccc4n3)CC1)C2

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.63
PDE2A O00408 1/20 0.63
PDE1B Q01064 1/20 0.63
PDE4D Q08499 1/20 0.63

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
SCHEMBL2630886 0.89 PDE10A (0.70) PDE10APDE2APDE1BPDE4D
SCHEMBL2631056 0.83 PDE10A (0.67) PDE10APDE2APDE1BPDE4D
SCHEMBL7712737 0.83 PDE10A (0.67) PDE10APDE2APDE1BPDE4D
SCHEMBL2631111 0.83 PDE10A (0.64) PDE10APDE2APDE1BPDE4D
SCHEMBL2630870 0.80 PDE10A (0.80) PDE10APDE2APDE1BPDE4D
SCHEMBL2630957 0.80 PDE10A (0.79) PDE10APDE2APDE1BPDE4D
SCHEMBL2631070 0.79 PDE10A (0.64) PDE10APDE2APDE1BPDE4D
SCHEMBL2630905 0.79 PDE10A (0.82) PDE10APDE2APDE1BPDE4D
SCHEMBL2630786 0.78 PDE10A (0.73) PDE10APDE2APDE1BPDE4D
SCHEMBL2631037 0.78 PDE10A (0.76) PDE10APDE2APDE1BPDE4D

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-2569302-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS Amgen, Inc (US) 2013-03-20 EP claimed
WO-2011143495-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO claimed