SCHEMBL16639189

SCHEMBL16639189

CCCc1nc(-c2cc3nc(N4CCCC4)cc(NC4CCCCCC4)n3n2)c(C)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.62
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE6D O43924 1/20 0.38
PDE5A O76074 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6G P18545 1/20 0.38
PDE6B P35913 1/20 0.38
PDE6C P51160 1/20 0.38
PDE6H Q13956 1/20 0.38
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NUDT1 P36639 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
SCHEMBL14211899 0.92 PDE10A (0.74) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL6899838 0.82 PDE10A (0.70) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL16639165 0.82 PDE10A (0.61) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL16639204 0.81 PDE10A (0.67) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211898 0.81 PDE10A (0.73) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL6900737 0.80 PDE10A (0.84) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211848 0.79 PDE10A (0.74) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL6899535 0.78 PDE10A (0.72) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL6900743 0.78 PDE10A (0.75) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211894 0.76 PDE10A (0.63) 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