SCHEMBL4815481

SCHEMBL4815481

CC1(C)CCN(C(=O)c2ccc3c(c2)OCO3)C1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.66
GAA P10253 1/20 0.66
ALDH1A1 P00352 5/20 0.65
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 2/20 0.56
TSHR P16473 2/20 0.55
GFER P55789 1/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL4815471 1.00 HPGD (0.66) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL108225 0.82 ALDH1A1 (0.90) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL4342175 0.82 HPGD (0.62) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL4353434 0.81 HPGD (0.61) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL5970063 0.79 HPGD (1.00) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL14140751 0.78 HPGD (1.00) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL244547 0.78 HPGD (1.00) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL13486221 0.78 HPGD (1.00) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL4815472 0.77 HPGD (0.52) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL13486222 0.76 HPGD (0.71) HPGDGAAALDH1A1HSD17B10CYP1A2

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