SCHEMBL4709902

SCHEMBL4709902

Cc1ccc2sc(CC(=O)CC3CCN(Cc4ccccc4)CC3)c(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
ACHE P22303 4/20 0.45
BCHE P06276 2/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL9382105 0.81 DRD2 (0.54) DRD2DRD4ACHEBCHE
SCHEMBL4737224 0.79 DRD2 (0.54) DRD2DRD4ACHEBCHE
SCHEMBL222020 0.78 ACHE (0.56) DRD2DRD4ACHEBCHE
SCHEMBL4284928 0.78 BCHE (0.58) DRD2DRD4ACHEBCHE
Hydrochloric Acid SCHEMBL9050783 0.76 MAPT (0.49) DRD4
SCHEMBL7501904 0.76 DRD2 (0.63) DRD2DRD4ACHEBCHE
SCHEMBL4736492 0.75 MAOB (0.43) ACHEMAOB
SCHEMBL9254634 0.75 MAOB (0.51) ACHEBCHEMAOB
SCHEMBL4289978 0.74 BCHE (0.69) DRD2DRD4ACHEBCHE
Hydrochloric Acid SCHEMBL9381094 0.74 BCHE (0.69) DRD2DRD4ACHEBCHE

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606248-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS Eisai Co., Ltd. (JP) 1994-07-20 EP claimed
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
WO-2008073451-A2 BENZOIMIDAZOLE DERIVATIVES AS SIRTUIN (SIR) MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
EP-1898897-A2 METHODS AND RELATED COMPOSITIONS FOR TREATING OR PREVENTING OBESITY, INSULIN RESISTANCE DISORDERS, AND MITOCHONDRIAL-ASSOCIATED DISORDERS Sirtris Pharmaceuticals, Inc. (US) 2008-03-19 EP 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-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-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
WO-1997029750-A1 TREATMENT OF ARTHRITIS DISORDERS, RHEUMATOID ARTHRITIS AND MANIFESTATIONS ASSOCIATED WITH RHEUMATOID DISORDERS SNORRASON ERNIR (IS) 1997-08-21 WO disclosed