SCHEMBL7397261

SCHEMBL7397261

COc1ccc(C(CN)c2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.56
PDE4D Q08499 2/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52

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
SCHEMBL7397489 0.84 PDE4A (0.73) PDE4APDE4DPDE4BPDE4C
SCHEMBL1157335 0.81 CYP19A1 (0.61) PDE4APDE4DPDE4BPDE4C
SCHEMBL6882353 0.80 PDE4A (0.75) PDE4APDE4DPDE4BPDE4C
SCHEMBL6882350 0.80 PDE4A (0.75) PDE4APDE4DPDE4BPDE4C
SCHEMBL5704500 0.80 CYP19A1 (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL5822951 0.79 PDE4A (0.63) PDE4APDE4DPDE4BPDE4C
SCHEMBL9272962 0.79 PDE4A (0.60) PDE4APDE4DPDE4BPDE4C
SCHEMBL7365082 0.78 MAPT (0.49)
SCHEMBL7146703 0.76 PDE4B (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL27537534 0.76 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C

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