SCHEMBL7362931

SCHEMBL7362931

COc1ccc(C(C)(C#N)CN)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.48
PDE4A P27815 13/20 0.45
PDE4D Q08499 12/20 0.45
PDE4C Q08493 11/20 0.45
MAPK14 Q16539 1/20 0.42
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9269715 0.85 PDE4B (0.49) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7355456 0.84 PDE4A (0.51) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL8590945 0.84 PDE4B (0.51) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL7394762 0.83 PDE4B (0.58) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7765508 0.82 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7995009 0.82 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7914451 0.82 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7362566 0.82 PDE4B (0.47) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL8192323 0.80 PDE4B (0.47) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL7358676 0.80 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CMAPK14

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