SCHEMBL13638874

SCHEMBL13638874

CCC(COC)NC(=O)c1cnccc1NC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
GPR6 P46095 14/20 0.36
PAICS P22234 1/20 0.34
FGFR1 P11362 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 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
SCHEMBL13634580 0.95 GPR6 (0.36) GPR6PAICSFGFR1
SCHEMBL13638814 0.91 PDE10A (0.41) NAMPTGPR6PDE10A
SCHEMBL13634510 0.90 NAMPT (0.37) NAMPTGPR6PAICSFGFR1
SCHEMBL13634511 0.90 NAMPT (0.37) NAMPTGPR6PAICSFGFR1
SCHEMBL13634571 0.87 GPR6 (0.34) GPR6PAICSFGFR1
SCHEMBL13634508 0.86 ALDH1A1 (0.41) NAMPTGPR6PAICSFGFR1
SCHEMBL13634676 0.85 GPR6 (0.42) NAMPTGPR6PAICSPDE10A
SCHEMBL13634512 0.84 SCD (0.39) GPR6PAICSFGFR1PDE10A
SCHEMBL13634596 0.84 GPR6 (0.38) GPR6PAICS
SCHEMBL13638903 0.83 PDE10A (0.42) NAMPTGPR6PAICSPDE10A

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