SCHEMBL12067553

SCHEMBL12067553

Cc1cnc(C)c(CCc2nc3c(C)c(C)ccc3n2C)n1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.39
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL15033339 0.81 PDE10A (0.45) PDE10ATLR7
SCHEMBL12067639 0.81 PDE10A (0.34) PDE10A
SCHEMBL12068252 0.79 PDE10A (0.63) PDE10ATLR7
SCHEMBL12067543 0.68 PDE10A (0.70) PDE10A
SCHEMBL28566639 0.66 CLK4 (0.42)
SCHEMBL24900132 0.65 PDE10A (0.41) PDE10A
SCHEMBL14301805 0.65 CYP1A2 (0.44)
SCHEMBL12067536 0.64 PDE10A (0.60) PDE10A
SCHEMBL10307332 0.63 HSP90AA1 (0.36) PDE10A
SCHEMBL30689655 0.63 HSP90AA1 (0.36) 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
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 WO disclosed