SCHEMBL13823218

SCHEMBL13823218

Bc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.72
PDE4B Q07343 19/20 0.72
PDE4C Q08493 19/20 0.72
PDE4D Q08499 19/20 0.72
CHRM3 P20309 18/20 0.72
CHRM2 P08172 1/20 0.71
CHRM4 P08173 1/20 0.71
CHRM5 P08912 1/20 0.71
CHRM1 P11229 1/20 0.71

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
SCHEMBL4427276 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL460823 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4431395 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4431348 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4428588 0.83 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4420338 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4423049 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4431257 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL13823185 0.81 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4422424 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3

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
US-7544675-B2 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2009-06-09 US disclosed