SCHEMBL873464

SCHEMBL873464

CNN1CCN(c2ccc(OC)c(OC3CCCC3)c2)CC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.47
PDE4B Q07343 12/20 0.47
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL681826 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL2085994 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL874174 0.86 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL874413 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL2087008 0.85 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL682915 0.85 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL682509 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL2085028 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL873724 0.84 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL16476087 0.84 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DMEN1

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