SCHEMBL12067652

SCHEMBL12067652

CNC(=O)c1c(NC(=O)c2nc(C(C)C)ncc2Nc2cncnc2)cnn1C

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.78

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
SCHEMBL12069543 0.89 PDE10A (0.75) PDE10A
SCHEMBL12067672 0.88 PDE10A (1.00) PDE10A
SCHEMBL12067668 0.87 PDE10A (1.00) PDE10A
SCHEMBL15417228 0.86 PDE10A (1.00) PDE10A
SCHEMBL19372177 0.85 PDE10A (0.60) PDE10A
SCHEMBL19389899 0.84 PDE10A (0.87) PDE10A
SCHEMBL12069714 0.83 PDE10A (1.00) PDE10A
SCHEMBL12070119 0.83 PDE10A (1.00) PDE10A
SCHEMBL15417261 0.83 PDE10A (1.00) PDE10A
SCHEMBL15417682 0.83 PDE10A (1.00) PDE10A

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-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed