SCHEMBL873693

SCHEMBL873693

COc1ccc(N2CCN(C(C=O)N3CC[C@H](CO)C3)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.41
PDE4A P27815 8/20 0.40
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL874485 1.00 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DFFAR4
SCHEMBL873928 0.91 PDE4B (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL874484 0.91 PDE4B (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL874555 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL873439 0.83 PDE4A (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL873809 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL873546 0.82 PDE4A (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL4985200 0.82 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL16458681 0.80 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL16458679 0.80 PDE4B (0.47) 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