SCHEMBL11729695

SCHEMBL11729695

CCCOc1cccc(C(=O)c2c(-c3ccc(OCCBr)cc3)oc3ccccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 15/20 0.61
▸ CNR1 P21554 7/20 0.61
▸ ACHE P22303 6/20 0.61
▸ CNR2 P34972 6/20 0.61
▸ APP P05067 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SLC2A1 P11166 1/20 0.49

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
SCHEMBL11729765 0.90 BCHE (0.75) BCHECNR1ACHECNR2APP
SCHEMBL11729633 0.87 APP (0.70) BCHECNR1ACHECNR2APP
SCHEMBL11733557 0.85 L3MBTL1 (0.65) BCHECNR1ACHECNR2APP
SCHEMBL11729640 0.84 APP (0.59) BCHECNR1ACHECNR2APP
SCHEMBL11729101 0.84 APP (0.63) BCHECNR1ACHECNR2APP
SCHEMBL11732934 0.83 APP (0.58) BCHECNR1ACHECNR2APP
SCHEMBL11732453 0.83 L3MBTL1 (0.78) BCHECNR1CNR2APPL3MBTL1
SCHEMBL11732468 0.82 APP (0.55) BCHECNR1ACHECNR2APP
SCHEMBL11733902 0.80 L3MBTL1 (0.58) BCHECNR1ACHECNR2APP
SCHEMBL11672322 0.80 BCHE (0.71) BCHECNR1ACHECNR2APP

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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