SCHEMBL873841

SCHEMBL873841

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.45
PDE4A P27815 6/20 0.43
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 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
SCHEMBL873626 1.00 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL873724 0.87 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL16476087 0.87 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL2084493 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL682940 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL874555 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL682509 0.83 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL682915 0.83 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL2087008 0.83 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL2085028 0.83 PDE4A (0.50) 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 claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed