SCHEMBL7557095

SCHEMBL7557095

COCCN(C)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.79

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
SCHEMBL7457141 0.89 PDE10A (1.00) PDE10A
SCHEMBL12069562 0.81 PDE10A (1.00) PDE10A
SCHEMBL15417196 0.79 PDE10A (1.00) PDE10A
SCHEMBL7461634 0.78 PDE10A (1.00) PDE10A
SCHEMBL12068019 0.77 PDE10A (1.00) PDE10A
SCHEMBL7459799 0.76 PDE10A (1.00) PDE10A
SCHEMBL12069558 0.76 PDE10A (1.00) PDE10A
SCHEMBL12068798 0.75 PDE10A (0.84) PDE10A
SCHEMBL12067698 0.75 PDE10A (1.00) PDE10A
SCHEMBL7451194 0.74 PDE10A (0.76) 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-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed