SCHEMBL876471

SCHEMBL876471

COc1ccc(N2CCN(C(=O)Cc3ncco3)[C@@H](CC(C)C)C2)cc1OC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.39
CCR1 P32246 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
POLB P06746 1/20 0.37
ACACB O00763 2/20 0.37
PDE4D Q08499 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL876472 1.00 PDE4B (0.39) PDE4BCCR1FFAR4POLBACACB
SCHEMBL683379 0.85 PDE4B (0.39) PDE4BCCR1FFAR4POLBPDE4D
SCHEMBL876960 0.85 PDE4B (0.39) PDE4BCCR1FFAR4POLBPDE4D
SCHEMBL682764 0.84 PDE4B (0.41) PDE4BFFAR4POLBPDE4DPDE4A
SCHEMBL876548 0.84 PDE4B (0.41) PDE4BFFAR4POLBPDE4DPDE4A
SCHEMBL877365 0.83 PDE4B (0.48) PDE4BFFAR4POLBPDE4DPDE4A
SCHEMBL682607 0.83 PDE4B (0.48) PDE4BFFAR4POLBPDE4DPDE4A
SCHEMBL682602 0.82 PDE4B (0.39) PDE4BCCR1FFAR4POLBPDE4D
SCHEMBL2134799 0.82 PDE4B (0.39) PDE4BCCR1FFAR4POLBPDE4D
SCHEMBL2140307 0.82 PDE4B (0.39) PDE4BCCR1FFAR4POLBPDE4D

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 disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed