SCHEMBL4669064

SCHEMBL4669064

CCC1(CC)CC(c2ccc(OC)c(OC)c2)=NN(C2CCN(CC(N)=O)CC2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.51
PDE4D Q08499 3/20 0.49
PDE4A P27815 1/20 0.49
PDE4C Q08493 1/20 0.49

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 SCHEMBL3451926 0.99 PDE4B (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL3452263 0.84 PDE4B (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL3451264 0.83 PDE4B (0.53) PDE4BPDE4DPDE4APDE4C
Hydrochloric Acid SCHEMBL3451257 0.82 PDE4B (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL3452620 0.82 PDE4B (0.58) PDE4BPDE4DPDE4APDE4C
SCHEMBL14250130 0.80 PDE4B (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL19155628 0.79 PDE4B (0.54) PDE4BPDE4D
SCHEMBL8218538 0.77 PDE4B (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL14249063 0.77 PDE4B (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL6027642 0.74 PDE4D (0.74) PDE4BPDE4DPDE4APDE4C

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