SCHEMBL11672444

SCHEMBL11672444

CCN(CC)CCOc1ccc(C(=O)c2c(-c3cc(C)cc(C)c3)oc3ccccc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.76
▸ BCHE P06276 14/20 0.66
▸ ACHE P22303 7/20 0.66
▸ CNR2 P34972 6/20 0.66
▸ CNR1 P21554 7/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SLC2A1 P11166 1/20 0.51

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 0.95 APP (0.84) APPBCHEACHECNR2CNR1
SCHEMBL11731490 0.92 APP (0.76) APPBCHEACHECNR2CNR1
SCHEMBL11672560 0.91 APP (0.91) APPBCHEACHECNR2CNR1
SCHEMBL11674118 0.90 APP (0.78) APPBCHEACHECNR2CNR1
SCHEMBL11673104 0.89 APP (0.73) APPBCHEACHECNR2CNR1
SCHEMBL11726658 0.88 APP (0.82) APPBCHEACHECNR2CNR1
SCHEMBL11734682 0.88 APP (0.78) APPBCHEACHECNR2CNR1
SCHEMBL11732345 0.87 APP (0.84) APPBCHEACHECNR2CNR1
SCHEMBL11672632 0.87 APP (0.77) APPBCHEACHECNR2CNR1
SCHEMBL11734945 0.87 APP (0.62) APPBCHEACHECNR2CNR1

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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