SCHEMBL6911364

SCHEMBL6911364

Nc1nc(C2CC2)nc2c1nnn2CC1CN(Cc2ccc(C(F)(F)F)c(F)c2)CCO1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 19/20 0.71
PDE8A O60658 3/20 0.54
DRD4 P21917 1/20 0.49

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
SCHEMBL6910855 0.90 PDE8B (0.68) PDE8BPDE8ADRD4
SCHEMBL6911420 0.87 PDE8B (0.83) PDE8BPDE8A
SCHEMBL6911029 0.85 PDE8B (0.81) PDE8BPDE8A
SCHEMBL6909564 0.83 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6911266 0.80 PDE8B (0.72) PDE8BPDE8ADRD4
SCHEMBL6910351 0.79 PDE8B (0.77) PDE8BPDE8A
SCHEMBL6910428 0.78 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6910356 0.78 PDE8B (0.71) PDE8BPDE8A
SCHEMBL6910604 0.76 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6910056 0.74 PDE8B (0.81) PDE8BDRD4

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
WO-2011058478-A1 SUBSTITUTED TRIAZOLOPYRIMIDINES AS PDE8 INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed