SCHEMBL11672403

SCHEMBL11672403

CCCCN(CCCC)CCCOc1ccc(C(=O)c2c(-c3ccccc3)oc3ccccc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.75
▸ BCHE P06276 12/20 0.65
▸ CNR1 P21554 8/20 0.65
▸ CNR2 P34972 7/20 0.65
▸ SLC2A1 P11166 1/20 0.65
▸ ACHE P22303 6/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL11672956 0.96 APP (0.75) APPBCHECNR1CNR2SLC2A1
SCHEMBL11672542 0.93 APP (0.87) APPBCHECNR1CNR2SLC2A1
Oxalic Acid SCHEMBL11672214 0.91 APP (0.84) APPBCHECNR1CNR2SLC2A1
SCHEMBL11673104 0.90 APP (0.73) APPBCHECNR1CNR2SLC2A1
SCHEMBL11672608 0.90 APP (0.82) APPBCHECNR1CNR2ACHE
SCHEMBL11672546 0.89 APP (0.87) APPBCHECNR1CNR2SLC2A1
SCHEMBL9485919 0.89 SLC2A1 (0.66) APPBCHECNR1CNR2SLC2A1
SCHEMBL11672066 0.89 BCHE (0.71) APPBCHECNR1CNR2ACHE
SCHEMBL11726658 0.88 APP (0.82) APPBCHECNR1CNR2SLC2A1
SCHEMBL11674118 0.88 APP (0.78) APPBCHECNR1CNR2SLC2A1

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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