SCHEMBL4815766

SCHEMBL4815766

CC1(C)CCN(C(=O)N2CCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
CA2 P00918 1/20 0.43
CHKA P35790 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CYP2C9 P11712 2/20 0.43
HSD11B1 P28845 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LIPE Q05469 2/20 0.41
TP53 P04637 1/20 0.39
SPR P35270 1/20 0.38
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
USP2 O75604 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
HSPA1A P0DMV8 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4815774 1.00 ALDH1A1 (0.52) ALDH1A1CA2CHKAMEN1KMT2A
SCHEMBL18855601 0.98 ALDH1A1 (0.56) ALDH1A1CA2CHKAMEN1KMT2A
SCHEMBL17177148 0.96 ALDH1A1 (0.50) ALDH1A1CA2CHKAMEN1KMT2A
SCHEMBL15451912 0.91 ALDH1A1 (0.56) ALDH1A1CA2CHKAMEN1KMT2A
SCHEMBL13450558 0.89 ALDH1A1 (0.61) ALDH1A1CA2CHKAMEN1KMT2A
SCHEMBL17809482 0.86 ALDH1A1 (0.54) ALDH1A1CA2CHKAMEN1KMT2A
SCHEMBL18390501 0.83 CYP1A2 (0.45) ALDH1A1HSD11B1SPRTDP1
SCHEMBL4815339 0.82 MEN1 (0.53) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL4815349 0.82 MEN1 (0.53) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL17177247 0.81 SPR (0.37) ALDH1A1MEN1KMT2ACYP2C9HSD11B1

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