SCHEMBL877846

SCHEMBL877846

COc1ccc(N2CCN(CC(=O)C(N)=O)[C@@H](Cc3ccccc3)C2)cc1OC1CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 3/20 0.41
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ACHE P22303 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL876615 0.94 PDE4B (0.44) PDE4BMEN1KMT2APDE4APDE4C
SCHEMBL683403 0.94 PDE4B (0.44) PDE4BMEN1KMT2APDE4APDE4C
SCHEMBL681904 0.91 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL682647 0.91 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL877921 0.91 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL2085057 0.91 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL876832 0.88 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL2084493 0.88 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL681903 0.88 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL682940 0.88 PDE4B (0.49) 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