SCHEMBL873566

SCHEMBL873566

COc1ccc(N2CCN([C@@H](C=O)c3sc(C)nc3C)C(Cc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.40
PDE4B Q07343 10/20 0.39
PDE4D Q08499 6/20 0.37
PDE4C Q08493 5/20 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
SCHEMBL874803 0.86 PDE4A (0.39) PDE4APDE4BPDE4DPDE4C
SCHEMBL874471 0.84 PDE4B (0.40) PDE4APDE4BPDE4DPDE4C
SCHEMBL874590 0.84 PDE4A (0.41) PDE4APDE4BPDE4DPDE4C
SCHEMBL876415 0.83 PDE4A (0.40) PDE4APDE4BPDE4DPDE4C
SCHEMBL873932 0.83 PDE4A (0.41) PDE4APDE4BPDE4DPDE4C
SCHEMBL873439 0.83 PDE4A (0.45) PDE4APDE4BPDE4DPDE4C
SCHEMBL874351 0.83 PDE4A (0.46) PDE4APDE4BPDE4DPDE4C
SCHEMBL873397 0.83 PDE4A (0.42) PDE4APDE4BPDE4DPDE4C
SCHEMBL874226 0.83 PDE4A (0.47) PDE4APDE4BPDE4DPDE4C
SCHEMBL873453 0.83 PDE4A (0.42) PDE4APDE4BPDE4DPDE4C

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