SCHEMBL3406040

SCHEMBL3406040

CC1(C)C(=O)Nc2cc3noc(CCC4CCN(Cc5ccccc5)CC4)c3cc21

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 20/20 0.50
BCHE P06276 7/20 0.50

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
SCHEMBL220047 0.85 ACHE (0.70) ACHEBCHE
SCHEMBL6198882 0.82 ACHE (0.73) ACHEBCHE
SCHEMBL8924503 0.80 ACHE (0.73) ACHEBCHE
Maleic Acid SCHEMBL3926936 0.78 ACHE (0.77) ACHEBCHE
SCHEMBL2331280 0.77 ACHE (0.68) ACHEBCHE
SCHEMBL16061704 0.77 ACHE (0.72) ACHEBCHE
SCHEMBL3402510 0.75 ACHE (0.71) ACHEBCHE
SCHEMBL4290939 0.74 ACHE (0.59) ACHEBCHE
SCHEMBL16062330 0.73 ACHE (0.61) ACHEBCHE
SCHEMBL27336984 0.68 ACHE (0.63) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152220-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-12 EP disclosed
WO-2015186114-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-10 WO disclosed
EP-2249806-A2 RESVERATROL FORMULATIONS Sirtris Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
WO-2009089011-A2 RESVERATROL FORMULATIONS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed
WO-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2008100376-A2 TRUNCATION VARIANTS OF SIRT1 AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008073451-A2 BENZOIMIDAZOLE DERIVATIVES AS SIRTUIN (SIR) MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
EP-1877054-A2 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF Sirtris Pharmaceuticals, Inc. (US) 2008-01-16 EP disclosed
EP-1853590-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
EP-1853610-A1 N-PHENYL BENZAMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
WO-2006105440-A2 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2006-10-05 WO disclosed
WO-2006094246-A2 N-ARYLMETHYL BENZAMIDE SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094236-A1 N-PHENYL BENZAMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094235-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006078941-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-27 WO disclosed