SCHEMBL6725922

SCHEMBL6725922

COc1ccc(C2=NN(C3CCN(CC(N)=O)CC3)C(=O)C3CC=CCC23)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.72
PDE4B Q07343 13/20 0.72
PDE4A P27815 12/20 0.72
PDE4C Q08493 12/20 0.72

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
SCHEMBL464942 1.00 PDE4D (0.72) PDE4DPDE4BPDE4APDE4C
SCHEMBL19155555 1.00 PDE4D (0.72) PDE4DPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL4013065 0.99 PDE4D (0.71) PDE4DPDE4BPDE4APDE4C
SCHEMBL6027642 0.90 PDE4D (0.74) PDE4DPDE4BPDE4APDE4C
SCHEMBL4010319 0.88 PDE4D (0.65) PDE4DPDE4BPDE4APDE4C
SCHEMBL2889194 0.88 PDE4D (0.68) PDE4DPDE4BPDE4APDE4C
SCHEMBL6467291 0.87 PDE4D (0.74) PDE4DPDE4BPDE4APDE4C
SCHEMBL2886831 0.87 PDE4D (0.74) PDE4DPDE4BPDE4APDE4C
SCHEMBL7061325 0.87 PDE4D (0.62) PDE4DPDE4BPDE4APDE4C
SCHEMBL2887475 0.87 PDE4D (0.62) PDE4DPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004098633-A1 COMPOSITION COMPRISING A PDE-4 INHIBITOR AND A TNF ALPHA ANTAGONIST ALTANA PHARMA AG (DE) 2004-11-18 WO disclosed