SCHEMBL873742

SCHEMBL873742

COc1ccc(N2CCN(C)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1.O=C(O)C1CCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.48
PDE4A P27815 11/20 0.48
PDE4C Q08493 7/20 0.48
PDE4D Q08499 7/20 0.48
S1PR5 Q9H228 1/20 0.44

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
Cyclopropane Carboxylic Acid SCHEMBL874103 0.97 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DS1PR5
SCHEMBL874670 0.95 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
Cyclopropanecarboxylic Acid Amide SCHEMBL873615 0.92 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL2085994 0.92 PDE4A (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL681826 0.92 PDE4A (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL873257 0.84 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL2140836 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL683288 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL2142292 0.84 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL2142298 0.84 PDE4B (0.48) 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 disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed