SCHEMBL11673104

SCHEMBL11673104

CCCCN(CCCC)CCCOc1ccc(C(=O)c2c(-c3cc(C)cc(C)c3)oc3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.73
▸ SLC2A1 P11166 1/20 0.61
▸ BCHE P06276 11/20 0.57
▸ ACHE P22303 5/20 0.57
▸ CNR2 P34972 5/20 0.57
▸ CNR1 P21554 6/20 0.56
▸ SIRT3 Q9NTG7 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
SCHEMBL11673919 0.93 APP (0.84) APPSLC2A1BCHEACHECNR2
SCHEMBL11672403 0.90 APP (0.75) APPSLC2A1BCHEACHECNR2
SCHEMBL11672444 0.89 APP (0.76) APPSLC2A1BCHEACHECNR2
SCHEMBL11672956 0.86 APP (0.75) APPSLC2A1BCHEACHECNR2
SCHEMBL11732345 0.86 APP (0.84) APPSLC2A1BCHEACHECNR2
SCHEMBL2403633 0.85 APP (1.00) APPSLC2A1BCHEACHECNR2
SCHEMBL11672709 0.85 APP (1.00) APPSLC2A1BCHEACHECNR2
Hydrochloric Acid SCHEMBL11732727 0.84 APP (0.98) APPSLC2A1BCHEACHECNR2
SCHEMBL11672546 0.83 APP (0.87) APPSLC2A1BCHEACHECNR2
SCHEMBL9485919 0.83 SLC2A1 (0.66) APPSLC2A1BCHECNR2CNR1

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
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 — — US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 — — US disclosed
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