SCHEMBL4817652

SCHEMBL4817652

CC1(C)CCN(C(=O)NCCc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.62
EPHX1 P07099 3/20 0.62
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
CYP2D6 P10635 1/20 0.53
NAMPT P43490 2/20 0.50
TPSAB1 Q15661 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
P2RX4 Q99571 1/20 0.47

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
SCHEMBL4817632 1.00 EPHX2 (0.62) EPHX2EPHX1ALDH1A1LMNACYP2D6
SCHEMBL4822591 0.86 KDM4E (0.59) EPHX2EPHX1CYP2D6TPSAB1KDM4E
SCHEMBL4822603 0.86 KDM4E (0.59) EPHX2EPHX1CYP2D6TPSAB1KDM4E
SCHEMBL311932 0.79 GAA (0.67) EPHX2EPHX1ALDH1A1NAMPTTPSAB1
SCHEMBL5476364 0.78 KDM4E (0.71) ALDH1A1NAMPTTPSAB1KDM4EGAA
SCHEMBL5210565 0.78 GAA (0.69) EPHX2EPHX1ALDH1A1CYP2D6NAMPT
SCHEMBL23123265 0.78 EPHX1 (0.56) EPHX2EPHX1ALDH1A1LMNACYP2D6
SCHEMBL13211230 0.77 EPHX2 (1.00) EPHX2EPHX1CYP2D6CYP3A4
SCHEMBL4817641 0.77 EPHX1 (0.47) EPHX2EPHX1ALDH1A1CYP2D6NAMPT
SCHEMBL23123358 0.77 CYP3A4 (0.52) EPHX2EPHX1ALDH1A1LMNACYP2D6

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 4 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
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