SCHEMBL5823779

SCHEMBL5823779

c1ccc(CN2CCC(CCc3noc4cccc(Nc5ccccc5-c5ccccc5)c34)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 20/20 0.61
BCHE P06276 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
Benzene SCHEMBL9411522 0.81 ACHE (0.68) ACHEBCHE
SCHEMBL6985471 0.77 ACHE (1.00) ACHEBCHE
Maleic Acid SCHEMBL6984611 0.74 ACHE (0.58) ACHEBCHE
SCHEMBL6983838 0.73 ACHE (0.60) ACHEBCHE
SCHEMBL9411614 0.72 ACHE (0.74) ACHEBCHE
SCHEMBL222107 0.71 ACHE (0.76) ACHEBCHE
SCHEMBL6986882 0.71 ACHE (1.00) ACHEBCHE
SCHEMBL8260128 0.70 ACHE (0.66) ACHEBCHE
SCHEMBL6987022 0.70 ACHE (1.00) ACHEBCHE
Fumaric Acid SCHEMBL6986323 0.70 ACHE (0.84) ACHEBCHE

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
WO-2006094248-A1 ARYL-SUBSTITUTED CYCLIC SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed