SCHEMBL873257

SCHEMBL873257

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.51
PDE4A P27815 7/20 0.46
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45

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
SCHEMBL2088855 0.93 PDE4B (0.50) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL682651 0.93 PDE4B (0.50) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL682919 0.93 PDE4B (0.50) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL2141419 0.93 PDE4B (0.50) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL2085532 0.93 PDE4B (0.49) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL874372 0.93 PDE4B (0.49) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL683245 0.93 PDE4B (0.49) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL682949 0.93 PDE4B (0.49) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL683288 0.92 PDE4B (0.49) PDE4BPDE4ANR1H2NR1H3PDE4C
SCHEMBL682540 0.92 PDE4B (0.49) PDE4BPDE4ANR1H2NR1H3PDE4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989188-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2015-07-22 EP claimed
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