SCHEMBL11672956

SCHEMBL11672956

CCCN(CCC)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
▸ SLC2A1 P11166 1/20 0.70
▸ BCHE P06276 14/20 0.65
▸ CNR1 P21554 7/20 0.65
▸ CNR2 P34972 6/20 0.65
▸ ACHE P22303 8/20 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
SCHEMBL11672403 0.96 APP (0.75) APPSLC2A1BCHECNR1CNR2
SCHEMBL11672542 0.93 APP (0.87) APPSLC2A1BCHECNR1CNR2
Oxalic Acid SCHEMBL11672214 0.91 APP (0.84) APPSLC2A1BCHECNR1CNR2
SCHEMBL11672608 0.90 APP (0.82) APPBCHECNR1CNR2ACHE
SCHEMBL11672546 0.89 APP (0.87) APPSLC2A1BCHECNR1CNR2
SCHEMBL11672066 0.89 BCHE (0.71) APPBCHECNR1CNR2ACHE
SCHEMBL11674118 0.88 APP (0.78) APPSLC2A1BCHECNR1CNR2
SCHEMBL11673104 0.86 APP (0.73) APPSLC2A1BCHECNR1CNR2
SCHEMBL11673509 0.86 APP (0.85) APPSLC2A1BCHECNR1CNR2
SCHEMBL2403633 0.86 APP (1.00) APPSLC2A1BCHECNR1CNR2

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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