SCHEMBL27714529

SCHEMBL27714529

c1ccc(CCN2CCC(CCc3noc4cc(Nc5ccccc5)ccc34)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 18/20 0.63
BCHE P06276 2/20 0.63

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
SCHEMBL222107 0.91 ACHE (0.76) ACHEBCHE
SCHEMBL27981863 0.87 ACHE (0.83) ACHEBCHE
SCHEMBL9411370 0.85 ACHE (0.64) ACHEBCHE
SCHEMBL28813999 0.85 ACHE (0.83) ACHEBCHE
SCHEMBL9411440 0.81 ACHE (0.78) ACHEBCHE
SCHEMBL27981988 0.81 ACHE (0.84) ACHEBCHE
Maleic Acid SCHEMBL27339121 0.81 ACHE (0.72) ACHEBCHE
Maleic Acid SCHEMBL27339122 0.81 ACHE (0.72) ACHEBCHE
SCHEMBL9411418 0.79 ACHE (0.63) ACHE
SCHEMBL27981554 0.79 ACHE (0.83) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101316853-B Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC 2014-09-24 CN disclosed
CN-103145738-A Imidazo [2,1-b] thiayole derivatives as SIRTUIN modulating compounds SIRTRIS PHARMACEUTICALS INC 2013-06-12 CN disclosed
CN-101316853-A Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-12-03 CN disclosed
CN-101282974-A Benzimidazole derivatives as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-10-08 CN disclosed
CN-101277963-A Benzimidazole derivatives as SIRTUIN modulators SIRTIS PHARMACEUTICALS INC (US) 2008-10-01 CN disclosed
CN-101277965-A Imidazo [2, 1-b ] thiazole derivatives as SIRTUIN modulating compounds SIRTRIS PHARMACEUTICALS INC (US) 2008-10-01 CN disclosed