SCHEMBL7379529

SCHEMBL7379529

COc1ccc(C(C)CN(CC(OC)OC)C(=N)NC#N)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.49
PDE4A P27815 16/20 0.42
PDE4D Q08499 5/20 0.42
PDE4C Q08493 4/20 0.42

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
SCHEMBL7382243 0.93 PDE4B (0.42) PDE4BPDE4APDE4DPDE4C
SCHEMBL7462257 0.89 PDE4B (0.53) PDE4BPDE4APDE4DPDE4C
SCHEMBL7379374 0.85 PDE4B (0.50) PDE4BPDE4APDE4DPDE4C
SCHEMBL7379526 0.83 PDE4B (0.46) PDE4BPDE4APDE4DPDE4C
SCHEMBL7379523 0.83 PDE4B (0.46) PDE4BPDE4APDE4DPDE4C
SCHEMBL7381457 0.82 PDE4D (0.46) PDE4BPDE4APDE4DPDE4C
SCHEMBL7380185 0.80 PDE4B (0.51) PDE4BPDE4APDE4DPDE4C
SCHEMBL7382238 0.78 PDE4B (0.42) PDE4BPDE4APDE4DPDE4C
SCHEMBL7382241 0.78 PDE4B (0.42) PDE4BPDE4APDE4DPDE4C
SCHEMBL7417732 0.77 PDE4B (0.40) PDE4BPDE4APDE4DPDE4C

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-0934280-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-08-11 EP disclosed
WO-1998014432-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-09 WO disclosed