SCHEMBL7366560

SCHEMBL7366560

COC(=O)C(=O)NCC(C)(C#N)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.47
PDE4D Q08499 10/20 0.47
PDE4A P27815 9/20 0.47
PDE4C Q08493 9/20 0.47
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
CTSK P43235 1/20 0.46
EPHX2 P34913 2/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL7362566 0.92 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7364665 0.87 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL8590945 0.82 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7362931 0.80 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL8192323 0.79 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL9268883 0.78 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CEPHX2
SCHEMBL7355456 0.77 PDE4A (0.51) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7358676 0.76 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL9276133 0.75 PDE4A (0.48) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL9269715 0.74 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed