SCHEMBL193269

SCHEMBL193269

CC(C)(C)OC(=O)N1CCCC1(I)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.36
EPHX1 P07099 1/20 0.36
JAK3 P52333 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.33
PREP P48147 1/20 0.32
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL20054876 1.00 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL1839800 0.95 GRIN2B (0.38) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL992886 0.90 USP2 (0.39) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL2246036 0.81 GRIN2B (0.43) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL3370511 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL1268184 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL2429525 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL631031 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL387543 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL2774828 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK

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-2440549-A1 2, 3-DIHYDRO-1H-INDENE COMPOUNDS AND THEIR USE TO TREAT CANCER AstraZeneca AB (SE) 2012-04-18 EP disclosed
EP-2400846-A1 HEPATITIS C VIRUS INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
WO-2010142994-A1 2, 3-DIHYDRO-1H-INDENE COMPOUNDS AND THEIR USE TO TREAT CANCER ASTRAZENECA AB (SE) 2010-12-16 WO disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
EP-2205596-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2010-07-14 EP disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2009073203-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2009-06-11 WO disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
WO-2008117051-A1 S-6-METH0XY-2- (2- (3- (PYRIMID-2-YL) IS0XAZ0L-5-YL) PYRROLIDIN-1-YL) -4- (5-METHYL-IH-PYRAZOL-S-YLAMINO) PYRIMIDINE AND POLYMORPHIC FORMS THEREOF AS MODULATORS OF THE INSULIN-LIKE GROWTH ASTRAZENECA AB (SE) 2008-10-02 WO disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
EP-1924594-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2008-05-28 EP disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 WO disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed