SCHEMBL874089

SCHEMBL874089

COc1ccc(N2CCN(CCOCC(N)=O)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.45
PDE4A P27815 7/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL681909 0.90 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL873927 0.90 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL876629 0.88 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL682983 0.88 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL682647 0.88 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL2085057 0.88 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL682663 0.87 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL875243 0.87 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL873601 0.87 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL682634 0.87 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 2 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 disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed