SCHEMBL13638814

SCHEMBL13638814

COC[C@H](C)NC(=O)c1cnccc1NC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
GPR6 P46095 8/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 3/20 0.36
AXL P30530 4/20 0.35
JAK3 P52333 2/20 0.35
ACKR3 P25106 1/20 0.35

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
SCHEMBL13634510 0.93 NAMPT (0.37) GPR6ALDH1A1L3MBTL1NAMPT
SCHEMBL13634511 0.93 NAMPT (0.37) GPR6ALDH1A1L3MBTL1NAMPT
SCHEMBL13638874 0.91 NAMPT (0.36) PDE10AGPR6NAMPT
SCHEMBL13634580 0.89 GPR6 (0.36) GPR6
SCHEMBL13634508 0.89 ALDH1A1 (0.41) GPR6ALDH1A1NAMPTJAK3
SCHEMBL13634512 0.87 SCD (0.39) PDE10AGPR6
SCHEMBL13634571 0.85 GPR6 (0.34) GPR6
SCHEMBL13634676 0.85 GPR6 (0.42) PDE10AGPR6NAMPT
SCHEMBL13634570 0.84 GPR6 (0.40) GPR6ALDH1A1
SCHEMBL13638762 0.84 PDE10A (0.40) PDE10AGPR6ALDH1A1NAMPTAXL

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