SCHEMBL4591300

SCHEMBL4591300

O=C(Cc1cc2cc(Cl)ccc2s1)CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
DRD4 P21917 4/20 0.52
SIGMAR1 Q99720 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A12 P48065 1/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL4284929 0.89 DRD2 (0.59) DRD2DRD4BCHEACHE
SCHEMBL9382105 0.89 DRD2 (0.54) DRD2DRD4BCHEACHE
SCHEMBL4695202 0.85 ACHE (0.54) DRD2DRD4BCHEACHE
SCHEMBL4737224 0.83 DRD2 (0.54) DRD2DRD4BCHEACHE
SCHEMBL5267754 0.82 DRD2 (0.51) DRD2DRD4SIGMAR1BCHEACHE
SCHEMBL5815137 0.79 ACHE (0.54) DRD2DRD4BCHEACHE
SCHEMBL220628 0.78 ACHE (0.58) DRD2DRD4SIGMAR1BCHEACHE
SCHEMBL7501904 0.77 DRD2 (0.63) DRD2DRD4SIGMAR1BCHEACHE
SCHEMBL5056825 0.73 SLC6A12 (0.44) DRD2DRD4SIGMAR1ALDH1A1KDM4E
SCHEMBL4709902 0.72 DRD2 (0.51) DRD2DRD4BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2015186068-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-10 WO disclosed
EP-1910384-A1 IMIDAZO [2,1-B]THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP 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-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-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS 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-2006094233-A1 N,N'-DICYCLIC ISOTHIOUREA SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 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-2006094248-A1 ARYL-SUBSTITUTED CYCLIC SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
EP-0606248-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS Eisai Co., Ltd. (JP) 1994-07-20 EP disclosed