SCHEMBL882672

SCHEMBL882672

COc1ccc(N2CCN[C@@H](I)C2)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.47
PDE4A P27815 5/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45

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
SCHEMBL2084595 0.84 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL682890 0.84 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL877961 0.83 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL878531 0.83 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL683235 0.82 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL877008 0.82 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL682886 0.82 PDE10A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL2087796 0.82 PDE10A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL682901 0.82 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL2086412 0.81 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D

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-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed