SCHEMBL4815629

SCHEMBL4815629

CC(=O)N1CCC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
EPHX2 P34913 1/20 0.43
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
SPR P35270 1/20 0.41
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 2/20 0.39
CYP3A4 P08684 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 3/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TSHR P16473 2/20 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
SCHEMBL4815638 1.00 SMN1; SMN2 (0.46) SMN1; SMN2EPHX2CYP1A2TDP1ALDH1A1
SCHEMBL11997948 0.87 EPHX2 (0.53) SMN1; SMN2EPHX2CYP1A2TDP1ALDH1A1
SCHEMBL838932 0.86 CYP3A4 (0.45) SMN1; SMN2EPHX2CYP1A2TDP1ALDH1A1
SCHEMBL13495459 0.84 SMN1; SMN2 (0.42) SMN1; SMN2EPHX2CYP1A2TDP1ALDH1A1
SCHEMBL12869368 0.81
SCHEMBL14297361 0.81 SMN1; SMN2 (0.43) SMN1; SMN2EPHX2CYP1A2TDP1ALDH1A1
SCHEMBL18478136 0.81 SMN1; SMN2 (0.43) SMN1; SMN2EPHX2CYP1A2TDP1ALDH1A1
SCHEMBL18478135 0.81 SMN1; SMN2 (0.43) SMN1; SMN2EPHX2CYP1A2TDP1ALDH1A1
SCHEMBL3952636 0.80 SPR (0.41) SMN1; SMN2EPHX2TDP1ALDH1A1CYP2C19
SCHEMBL23817652 0.79 EPHX2 (0.47) SMN1; SMN2EPHX2CYP1A2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US claimed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 EP claimed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO claimed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 EP disclosed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO disclosed