SCHEMBL4985200

SCHEMBL4985200

CNC(C=O)N1CCN(c2ccc(OC)c(OC3CCCC3)c2)C[C@@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.44
PDE4A P27815 11/20 0.43
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE5A O76074 1/20 0.39

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
SCHEMBL873439 0.88 PDE4A (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL873809 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL874555 0.85 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL874226 0.84 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL873397 0.84 PDE4A (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL873453 0.84 PDE4A (0.42) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL874590 0.84 PDE4A (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL873932 0.83 PDE4A (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL873724 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL16476087 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMEN1

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-1989188-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS Helicon Therapeutics, Inc. (US) 2008-11-12 EP disclosed
WO-2007100852-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed