SCHEMBL874322

SCHEMBL874322

COc1ccc(N2CCN(C(C=O)c3c[nH]cn3)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.41
PDE4A P27815 11/20 0.40
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
HTR1A P08908 2/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL877011 0.87 PDE4A (0.39) PDE4BPDE4APDE4CPDE4D
SCHEMBL877012 0.87 PDE4A (0.39) PDE4BPDE4APDE4CPDE4D
SCHEMBL876415 0.86 PDE4A (0.40) PDE4BPDE4APDE4CPDE4D
SCHEMBL874491 0.86 PDE4A (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL873798 0.84 PDE4A (0.40) PDE4BPDE4APDE4CPDE4D
SCHEMBL873439 0.83 PDE4A (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL874226 0.83 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL873397 0.83 PDE4A (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL873453 0.83 PDE4A (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL873372 0.82 PDE4A (0.41) 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