SCHEMBL8239457

SCHEMBL8239457

CC(C)(C)[C@H](N)CN1CCCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
PER2 O15055 3/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CRY2 Q49AN0 1/20 0.39
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
PIK3CD O00329 2/20 0.33
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CDA P32320 2/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL21711067 0.81 SMN1; SMN2 (0.46) SMN1; SMN2PER2MAPTALDH1A1KDM4E
SCHEMBL13804512 0.78 SMN1; SMN2 (0.41) SMN1; SMN2PER2MAPTALDH1A1KDM4E
SCHEMBL8283567 0.77 PIK3CD (0.55) SMN1; SMN2PER2MAPTALDH1A1KDM4E
SCHEMBL13792388 0.76 SMN1; SMN2 (0.40) SMN1; SMN2PER2MAPTALDH1A1KDM4E
SCHEMBL13632929 0.76 PER2 (0.42) SMN1; SMN2PER2MAPTALDH1A1KDM4E
SCHEMBL8250636 0.76 PIK3CD (0.59) PER2ALDH1A1PIK3CDMEN1KMT2A
SCHEMBL4126996 0.76 PIK3CD (0.59) PER2ALDH1A1PIK3CDMEN1KMT2A
SCHEMBL8240286 0.75 PIK3CD (0.63) PER2CRY2PIK3CDGRIN1GRIN2B
SCHEMBL8239772 0.75 PIK3CD (0.53) PER2CRY2DPP4DPP8PIK3CD
SCHEMBL8282110 0.74 SMN1; SMN2 (0.38) SMN1; SMN2PER2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 EP disclosed
EP-1737821-B1 3,4-(CYCLOPENTYL)-FUSED PROLINE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2009-08-05 EP disclosed
WO-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130552-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130553-A2 HCV PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130688-A2 COMPOUNDS FOR INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130628-A2 COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130627-A2 METHODS FOR TREATING HEPATITIS C SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130626-A2 METHOD FOR MODULATING ACTIVITY OF HCV PROTEASE THROUGH USE OF A NOVEL HCV PROTEASE INHIBITOR TO REDUCE DURATION OF TREATMENT PERIOD SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 WO disclosed