SCHEMBL11673204

SCHEMBL11673204

CCOc1cc(C(=O)c2c(-c3ccccc3)oc3ccccc23)ccc1OCCCN(CC)CC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.64
▸ BCHE P06276 12/20 0.54
▸ ACHE P22303 6/20 0.54
▸ CNR2 P34972 5/20 0.54
▸ CNR1 P21554 5/20 0.53
▸ SIRT3 Q9NTG7 1/20 0.49
▸ SLC2A1 P11166 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL11671924 0.93 APP (0.64) APPBCHEACHECNR2CNR1
SCHEMBL11673163 0.90 APP (0.61) APPBCHEACHECNR2CNR1
SCHEMBL11671990 0.90 APP (0.62) APPBCHEACHECNR2CNR1
SCHEMBL11672311 0.90 APP (0.68) APPBCHEACHECNR2CNR1
SCHEMBL11731607 0.88 APP (0.68) APPBCHEACHECNR2CNR1
SCHEMBL11672542 0.84 APP (0.87) APPBCHEACHECNR2CNR1
SCHEMBL11673385 0.84 APP (0.62) APPBCHEACHECNR2CNR1
SCHEMBL11672322 0.84 BCHE (0.71) APPBCHEACHECNR2CNR1
SCHEMBL11673549 0.84 APP (0.64) APPBCHEACHECNR2CNR1
Oxalic Acid SCHEMBL11672214 0.83 APP (0.84) 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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