SCHEMBL4670548

SCHEMBL4670548

COc1ccc(C2=NN(C3CCN(CCC(=O)N4CCOCC4)CC3)C(=O)C(C)(C)C2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.56
PDE4D Q08499 3/20 0.55
PDE4A P27815 1/20 0.55
PDE4C Q08493 1/20 0.55

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
Hydrochloric Acid SCHEMBL3450829 0.99 PDE4B (0.55) PDE4BPDE4DPDE4APDE4C
SCHEMBL3453074 0.81 PDE4B (0.77) PDE4BPDE4DPDE4APDE4C
Hydrochloric Acid SCHEMBL4669440 0.81 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL3451908 0.80 PDE4B (0.75) PDE4BPDE4DPDE4APDE4C
SCHEMBL27936396 0.79 PDE4B (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL3453216 0.78 PDE4B (0.77) PDE4BPDE4DPDE4APDE4C
SCHEMBL14251185 0.78 PDE4B (0.61) PDE4BPDE4DPDE4APDE4C
SCHEMBL3453330 0.76 PDE4B (0.64) PDE4BPDE4DPDE4APDE4C
SCHEMBL14249758 0.76 PDE4B (0.56) PDE4BPDE4DPDE4APDE4C
SCHEMBL4943065 0.75 HTT (0.57) PDE4BPDE4D

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
EP-1716133-B1 2-(PIPERIDIN-4-YL)-4,5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2008-03-26 EP claimed