SCHEMBL16639165

SCHEMBL16639165

Cc1cnc(C)c(-c2cc3nc(N4CCCC4)cc(NC4CCCCCC4)n3n2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.61
RAB9A P51151 2/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE6D O43924 1/20 0.37
PDE5A O76074 1/20 0.37
PDE6A P16499 1/20 0.37
PDE6G P18545 1/20 0.37
PDE6B P35913 1/20 0.37
PDE6C P51160 1/20 0.37
PDE6H Q13956 1/20 0.37
CHRM3 P20309 2/20 0.36
NUDT1 P36639 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
KMT2A Q03164 1/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL14211862 0.91 PDE10A (0.74) PDE10A
SCHEMBL6899838 0.84 PDE10A (0.70) PDE10ARAB9APDE4APDE4BPDE4C
SCHEMBL16639189 0.82 PDE10A (0.62) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL6899535 0.80 PDE10A (0.72) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL6900737 0.80 PDE10A (0.84) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211848 0.78 PDE10A (0.74) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211894 0.78 PDE10A (0.63) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211888 0.78 PDE10A (0.62) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL6900743 0.78 PDE10A (0.75) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211787 0.77 PDE10A (0.68) PDE10APDE4APDE4BPDE4CPDE4D

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
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed