SCHEMBL13638762

SCHEMBL13638762

COCCNC(=O)c1ccncc1NC(=O)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.40
GPR6 P46095 3/20 0.39
NAMPT P43490 1/20 0.37
PAICS P22234 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
AXL P30530 1/20 0.35
PIM1 P11309 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
SCHEMBL13634500 0.93 GPR6 (0.42) PDE10AGPR6PAICSCNR1PIM1
SCHEMBL13634790 0.90 PIM1 (0.41) PDE10AGPR6PAICSCNR1PIM1
SCHEMBL13634676 0.87 GPR6 (0.42) PDE10AGPR6NAMPTPAICSCNR1
SCHEMBL13634596 0.85 GPR6 (0.38) GPR6PAICSKDM4EHPGDALDH1A1
SCHEMBL13634675 0.85 PDE10A (0.48) PDE10ANAMPTKDM4EHPGDMAPT
SCHEMBL13638814 0.84 PDE10A (0.41) PDE10AGPR6NAMPTALDH1A1AXL
SCHEMBL13634792 0.84 PDE10A (0.46) PDE10AGPR6NAMPTPAICSPIM1
SCHEMBL13634671 0.84 PDE10A (0.46) PDE10AGPR6NAMPTPAICSPIM1
SCHEMBL13638871 0.83 TGFBR1 (0.36) PDE10AGPR6PAICSCNR1PIM1
SCHEMBL13634512 0.83 SCD (0.39) PDE10AGPR6PAICSMAPTCNR1

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