SCHEMBL2486525

SCHEMBL2486525

CC(CNC(=O)OC(C)(C)C)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSK P43235 3/20 0.44
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSD P07339 1/20 0.42
CTSS P25774 1/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
PCSK9 Q8NBP7 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
HCRTR2 O43614 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL31758053 0.87 USP2 (0.45) USP2SMN1; SMN2CTSKCTSLCTSB
SCHEMBL27566114 0.86 CTSL (0.42) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL4519114 0.86 CTSL (0.42) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL996283 0.83 MEN1 (0.42) USP2SMN1; SMN2CTSKCTSLCTSB
SCHEMBL996282 0.83 MEN1 (0.42) USP2SMN1; SMN2CTSKCTSLCTSB
SCHEMBL8173021 0.82 PCSK9 (0.38) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL12260398 0.82 CTSK (0.56) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL19919905 0.82 CTSK (0.56) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL1503615 0.82 USP2 (0.41) USP2SMN1; SMN2CTSKCTSLCTSB
SCHEMBL4723757 0.81 PIK3CD (0.38) CTSKCTSLCTSBCTSSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445868-A2 NOVEL BIPHENYL AND PHENYL-PYRIDINE AMIDES F. Hoffmann-La Roche AG (CH) 2012-05-02 EP disclosed
EP-2379518-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010149578-A2 NOVEL BIPHENYL AND PHENYL-PYRIDINE AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO disclosed
EP-2234976-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
EP-2234981-A1 NOVEL IMIDAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
EP-2234989-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
EP-2225213-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-09-08 EP disclosed
WO-2010069794-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
EP-2091927-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-Roche AG (CH) 2009-08-26 EP disclosed
WO-2009077366-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077371-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077367-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077365-A1 NOVEL IMIDAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
EP-2038264-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008055840-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed
WO-2008000645-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP disclosed