SCHEMBL19372129

SCHEMBL19372129

CNC(=O)c1c(NC(=O)Oc2nc(C3CC3)cnc2Nc2cncnc2)cnn1CCOC

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.80

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
SCHEMBL19372229 0.93 PDE10A (0.77) PDE10A
SCHEMBL19372264 0.91 PDE10A (0.76) PDE10A
SCHEMBL19372166 0.90 PDE10A (0.78) PDE10A
SCHEMBL19372122 0.89 PDE10A (0.77) PDE10A
SCHEMBL7591722 0.89 PDE10A (1.00) PDE10A
SCHEMBL19372121 0.89 PDE10A (0.75) PDE10A
SCHEMBL19372312 0.88 PDE10A (0.78) PDE10A
SCHEMBL19372210 0.88 PDE10A (0.79) PDE10A
SCHEMBL19372170 0.85 PDE10A (0.79) PDE10A
SCHEMBL19372098 0.85 PDE10A (0.79) 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-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP claimed