SCHEMBL13634831

SCHEMBL13634831

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR6 P46095 11/20 0.35
PAICS P22234 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2J2 P51589 1/20 0.33
FGFR1 P11362 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
SCHEMBL13638903 0.93 PDE10A (0.42) PDE10ACNR1CNR2GPR6PAICS
SCHEMBL13634676 0.89 GPR6 (0.42) PDE10ACNR1CNR2GPR6PAICS
SCHEMBL13634596 0.88 GPR6 (0.38) CNR1CNR2GPR6PAICSCYP2C19
SCHEMBL13634512 0.87 SCD (0.39) PDE10ACNR1CNR2GPR6PAICS
SCHEMBL13634801 0.87 CNR1 (0.46) CNR1CNR2GPR6PAICSCYP2C9
SCHEMBL13638871 0.86 TGFBR1 (0.36) PDE10ACNR1CNR2GPR6PAICS
SCHEMBL13634580 0.86 GPR6 (0.36) GPR6PAICSFGFR1
SCHEMBL13634510 0.85 NAMPT (0.37) GPR6PAICSL3MBTL1FGFR1
SCHEMBL13634511 0.85 NAMPT (0.37) GPR6PAICSL3MBTL1FGFR1
SCHEMBL13634507 0.84 CNR2 (0.43) CNR1CNR2CYP2C9CYP2C19

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