SCHEMBL873437

SCHEMBL873437

COc1ccc(N2CCN(CC(C)=O)C(Cc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.49
PDE4A P27815 7/20 0.44
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43

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
SCHEMBL682940 0.94 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL2084493 0.94 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL682647 0.93 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL2085057 0.93 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL682926 0.92 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL873783 0.92 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL681903 0.92 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL876832 0.92 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL877921 0.91 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL681904 0.91 PDE4B (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed