SCHEMBL20375320

SCHEMBL20375320

CN/C(=C\C(=N)c1ccccn1)NC(=O)c1nc(COC)ccc1Nc1cncnc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.54

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
SCHEMBL6896300 0.74 PDE10A (0.56) PDE10A
SCHEMBL7453496 0.71 PDE10A (0.60) PDE10A
SCHEMBL2160309 0.71 PDE10A (0.60) PDE10A
SCHEMBL2160065 0.70 PDE10A (1.00) PDE10A
SCHEMBL19389797 0.70 PDE10A (0.52) PDE10A
SCHEMBL15417217 0.69 PDE10A (1.00) PDE10A
SCHEMBL15417201 0.69 PDE10A (1.00) PDE10A
SCHEMBL2160041 0.68 PDE10A (1.00) PDE10A
SCHEMBL7574215 0.67 PDE10A (1.00) PDE10A
SCHEMBL15417278 0.65 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP disclosed