SCHEMBL11729208

SCHEMBL11729208

CCN(CC)CCCOc1cccc(-c2oc3ccccc3c2C(=O)c2cc(C)cc(C)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.69
▸ BCHE P06276 16/20 0.62
▸ ACHE P22303 7/20 0.59
▸ CNR2 P34972 3/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ XDH P47989 1/20 0.51
▸ SIRT3 Q9NTG7 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
SCHEMBL11734945 0.95 APP (0.62) APPBCHEACHECNR2CNR1
SCHEMBL11732345 0.91 APP (0.84) APPBCHEACHECNR2CNR1
SCHEMBL11672322 0.88 BCHE (0.71) APPBCHEACHECNR2CNR1
SCHEMBL11673919 0.87 APP (0.84) APPBCHEACHECNR2CNR1
SCHEMBL11731490 0.86 APP (0.76) APPBCHEACHECNR2CNR1
SCHEMBL11671560 0.84 APP (0.65) APPBCHEACHECNR2CNR1
SCHEMBL11672542 0.82 APP (0.87) APPBCHEACHECNR2CNR1
SCHEMBL11672383 0.82 APP (0.67) APPBCHEACHECNR2CNR1
SCHEMBL2403633 0.82 APP (1.00) APPBCHEACHECNR2CNR1
SCHEMBL11672709 0.82 APP (1.00) 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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