SCHEMBL6898480

SCHEMBL6898480

Cc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(N[C@H]4CC[C@@H](C)CC4)n3n1)OCCC2

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.80
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
PDE6D O43924 1/20 0.34
PDE5A O76074 1/20 0.34
PDE6A P16499 1/20 0.34
PDE6G P18545 1/20 0.34
PDE6B P35913 1/20 0.34
PDE6C P51160 1/20 0.34
PDE6H Q13956 1/20 0.34
CHRM3 P20309 2/20 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
SCHEMBL6898248 0.92 PDE10A (0.93) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14120885 0.89 PDE10A (1.00) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14120391 0.89 PDE10A (0.94) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14120392 0.89 PDE10A (0.94) PDE10APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL14119877 0.88 PDE10A (0.93) PDE10APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL2439201 0.88 PDE10A (0.93) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2439792 0.88 PDE10A (1.00) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2439789 0.88 PDE10A (1.00) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2434724 0.85 PDE10A (1.00) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2445481 0.85 PDE10A (1.00) 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 2 patents. 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
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 WO disclosed