SCHEMBL6898045

SCHEMBL6898045

CCCc1cnc(-c2cc3nc(N4CCCC4)cc(NC4CCC(C)(O)CC4)n3n2)c(C)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.63
PDE6D O43924 1/20 0.35
PDE5A O76074 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE4A P27815 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE6H Q13956 1/20 0.35
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL14211891 1.00 PDE10A (0.63) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211894 0.94 PDE10A (0.63) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL6900743 0.85 PDE10A (0.75) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211888 0.83 PDE10A (0.62) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL6899536 0.82 PDE10A (0.81) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211785 0.81 PDE10A (0.70) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL6900532 0.81 PDE10A (0.70) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211834 0.79 PDE10A (0.72) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211831 0.78 PDE10A (0.84) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL2434724 0.77 PDE10A (1.00) PDE10APDE6DPDE5APDE6APDE6G

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