SCHEMBL875352

SCHEMBL875352

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.42
PDE4A P27815 10/20 0.42
PDE4D Q08499 7/20 0.40
PDE4C Q08493 6/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL16476087 0.89 PDE4B (0.46) PDE4BPDE4APDE4DPDE4CMEN1
SCHEMBL873724 0.89 PDE4B (0.46) PDE4BPDE4APDE4DPDE4CMEN1
SCHEMBL2139594 0.84 PDE4B (0.47) PDE4BPDE4APDE4DPDE4C
SCHEMBL2139601 0.84 PDE4B (0.47) PDE4BPDE4APDE4DPDE4C
SCHEMBL873888 0.82 PDE4D (0.47) PDE4BPDE4APDE4DMEN1KMT2A
SCHEMBL873857 0.80 PDE4B (0.50) PDE4BPDE4APDE4DPDE4C
SCHEMBL2137341 0.80 PDE4B (0.50) PDE4BPDE4APDE4DPDE4C
SCHEMBL878610 0.78 PDE4D (0.46) PDE4BPDE4APDE4DPDE4C
Hydrochloric Acid SCHEMBL2140526 0.78 PDE4A (0.45) PDE4BPDE4APDE4DPDE4CMEN1
SCHEMBL682605 0.78 PDE4A (0.45) PDE4BPDE4APDE4DPDE4CMEN1

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