SCHEMBL11731607

SCHEMBL11731607

CCOc1ccc(C(=O)c2c(-c3ccc(OCCN(CC)CC)cc3)oc3ccccc23)cc1OCC

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.68
▸ BCHE P06276 14/20 0.64
▸ ACHE P22303 6/20 0.64
▸ CNR2 P34972 6/20 0.64
▸ CNR1 P21554 7/20 0.62
▸ L3MBTL1 Q9Y468 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
SCHEMBL11732934 0.90 APP (0.58) APPBCHEACHECNR2CNR1
SCHEMBL11673204 0.88 APP (0.64) APPBCHEACHECNR2CNR1
SCHEMBL11726658 0.87 APP (0.82) APPBCHEACHECNR2CNR1
SCHEMBL11674118 0.86 APP (0.78) APPBCHEACHECNR2CNR1
SCHEMBL11734682 0.86 APP (0.78) APPBCHEACHECNR2CNR1
SCHEMBL11672560 0.86 APP (0.91) APPBCHEACHECNR2CNR1
SCHEMBL11672632 0.86 APP (0.77) APPBCHEACHECNR2CNR1
SCHEMBL11727691 0.85 APP (0.66) APPBCHEACHECNR2CNR1
SCHEMBL11725593 0.85 APP (0.76) APPBCHEACHECNR2CNR1
SCHEMBL11734257 0.85 APP (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001426-A HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1977-01-04 — — US disclosed
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