SCHEMBL7143470

SCHEMBL7143470

COc1ccc(C(C)CNC(=NCC(OC)OC)NC#N)cc1OC1Cc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.51
PDE4A P27815 8/20 0.39
PDE4C Q08493 7/20 0.39
PDE4D Q08499 7/20 0.39
P2RX7 Q99572 2/20 0.37
NAMPT P43490 1/20 0.34

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
SCHEMBL7146095 0.89 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL8212173 0.87 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DP2RX7
SCHEMBL7143466 0.85 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL7143463 0.85 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL7144718 0.83 PDE4B (0.39) PDE4BPDE4APDE4CPDE4D
SCHEMBL7144832 0.82 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL7151018 0.82 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7145904 0.79 PDE4D (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL7150885 0.78 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL8203861 0.77 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D

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-B1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-09 EP disclosed
US-6051718-A A PHOSPHODIESTERASE ENZYME INHIBITOR AND A CYTOKINE ANTAGONIST FOR TREATING ALLERGIC, ATOPIC AND INFLAMMATORY DISEASES INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-04-18 US disclosed