SCHEMBL7352136

SCHEMBL7352136

COc1ccc(C(C#N)CN)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.54
PDE4B Q07343 6/20 0.53
PDE4D Q08499 4/20 0.53
PDE4C Q08493 3/20 0.53

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
SCHEMBL8574005 1.00 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL29061973 0.90 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C
SCHEMBL29061976 0.90 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C
SCHEMBL7999614 0.88 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL13016730 0.86 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL7325901 0.83 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL8570355 0.83 PDE4A (0.49) PDE4APDE4BPDE4DPDE4C
SCHEMBL7366317 0.82 PDE4A (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL7363289 0.82 PDE4B (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL7395886 0.82 PDE4A (0.57) PDE4APDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710180-A TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1998-01-20 US disclosed
EP-0714397-A4 1996-06-26 EP disclosed
EP-0714397-A1 PHENETHYLAMINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-05 EP disclosed
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
WO-1995005386-A1 PHENETHYLAMINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-02-23 WO 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