SCHEMBL19389934

SCHEMBL19389934

O=C(Nc1cnccc1C(=O)N1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.85

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
SCHEMBL12069457 0.92 PDE10A (1.00) PDE10A
SCHEMBL7517179 0.92 PDE10A (1.00) PDE10A
SCHEMBL7517169 0.92 PDE10A (1.00) PDE10A
SCHEMBL7451717 0.89 PDE10A (1.00) PDE10A
SCHEMBL7451718 0.89 PDE10A (1.00) PDE10A
SCHEMBL7520526 0.88 PDE10A (1.00) PDE10A
SCHEMBL7520531 0.88 PDE10A (1.00) PDE10A
SCHEMBL7519975 0.87 PDE10A (1.00) PDE10A
SCHEMBL7519967 0.87 PDE10A (1.00) PDE10A
SCHEMBL7517066 0.87 PDE10A (0.89) 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 disclosed