SCHEMBL13638903

SCHEMBL13638903

COCC(C)(C)CNC(=O)c1cnccc1NC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.42
NAMPT P43490 1/20 0.36
GPR6 P46095 12/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PAICS P22234 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13634831 0.93 PDE10A (0.39) PDE10AGPR6CNR1CNR2PAICS
SCHEMBL13634676 0.87 GPR6 (0.42) PDE10ANAMPTGPR6CNR1CNR2
SCHEMBL13634512 0.86 SCD (0.39) PDE10AGPR6CNR1CNR2PAICS
SCHEMBL13634801 0.86 CNR1 (0.46) GPR6CNR1CNR2PAICS
SCHEMBL13634596 0.85 GPR6 (0.38) GPR6CNR1CNR2PAICS
SCHEMBL13638871 0.85 TGFBR1 (0.36) PDE10AGPR6CNR1CNR2PAICS
SCHEMBL13638814 0.84 PDE10A (0.41) PDE10ANAMPTGPR6L3MBTL1
SCHEMBL13634507 0.83 CNR2 (0.43) NAMPTCNR1CNR2
SCHEMBL13638762 0.83 PDE10A (0.40) PDE10ANAMPTGPR6CNR1PAICS
SCHEMBL13634580 0.83 GPR6 (0.36) GPR6PAICS

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed