SCHEMBL874072

SCHEMBL874072

COc1ccc(N2CCN(CC(C)(C)CC=O)C(Cc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.42
PDE4A P27815 10/20 0.42
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL874791 0.92 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL874544 0.88 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL873724 0.88 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL16476087 0.88 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL874019 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL874116 0.85 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL873720 0.85 PDE4B (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL2087008 0.84 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL682509 0.84 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL2085028 0.84 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