SCHEMBL3404577

SCHEMBL3404577

CC(C)(C)c1cc(OCCC2CCCN2)ccc1-c1cccc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHEK2 O96017 1/20 0.37
PRKCZ Q05513 1/20 0.37
NOS3 P29474 9/20 0.37
NOS1 P29475 9/20 0.37
NOS2 P35228 9/20 0.37

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
SCHEMBL4018111 0.85 NOS1 (0.44) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL4012567 0.85 NOS3 (0.38) CHRNB4CHRNA3CHEK2PRKCZNOS3
SCHEMBL4292530 0.85 NOS3 (0.39) CHRNB4CHRNA3CHEK2PRKCZNOS3
SCHEMBL4292393 0.84 NOS3 (0.40) CHRNB4CHRNA3CHEK2PRKCZNOS3
SCHEMBL4282777 0.83 IRAK4 (0.39) CHEK2PRKCZNOS3NOS1NOS2
SCHEMBL220392 0.79 NOS3 (0.59) NOS3NOS1NOS2
SCHEMBL419970 0.78 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL252496 0.77 NOS1 (0.42) NOS3NOS1NOS2
SCHEMBL219316 0.76 NOS1 (0.58) NOS3NOS1NOS2
SCHEMBL5833732 0.74 NOS3 (0.63) NOS3NOS1NOS2

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 26 patents — showing the first 20. 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
EP-3149016-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-05 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
WO-2015186068-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE 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-2009158646-A1 THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-30 WO 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-1850840-A2 NOVEL COMPOSITIONS FOR PREVENTING AND TREATING NEURODEGENERATIVE AND BLOOD COAGULATION DISORDERS Sirtris Pharmaceuticals, Inc. (US) 2007-11-07 EP disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007008548-A2 METHODS AND RELATED COMPOSITIONS FOR TREATING OR PREVENTING OBESITY, INSULIN RESISTANCE DISORDERS, AND MITOCHONDRIAL-ASSOCIATED DISORDERS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-01-18 WO disclosed
WO-2006105440-A2 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2006-10-05 WO disclosed
WO-2006094236-A1 N-PHENYL BENZAMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094248-A1 ARYL-SUBSTITUTED CYCLIC 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
WO-2006076681-A2 NOVEL COMPOSITIONS FOR PREVENTING AND TREATING NEURODEGENERATIVE AND BLOOD COAGULATION DISORDERS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed