SCHEMBL4811491

SCHEMBL4811491

CC1(C)CCN(C(=O)NC2CCCCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 3/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 2/20 0.46
EPHX1 P07099 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4811500 1.00 HTT (0.61) HTTKDM4EALDH1A1POLBHSD17B10
SCHEMBL18389807 0.85 KDM4E (0.49) HTTKDM4EALDH1A1POLBHSD17B10
SCHEMBL19159608 0.83 HTT (0.61) HTTKDM4EALDH1A1POLBHSD17B10
SCHEMBL9977787 0.82 HTT (0.59) HTTKDM4EALDH1A1POLBHSD17B10
SCHEMBL20970574 0.81 EPHX2 (0.47) HTTKDM4EALDH1A1POLBPKM
SCHEMBL18704951 0.81 HRH3 (0.44) HTTKDM4EALDH1A1EPHX2
SCHEMBL20346236 0.81 EPHX2 (0.42) HTTKDM4EALDH1A1POLBHSD17B10
SCHEMBL23062906 0.79 HTT (0.70) HTTKDM4EALDH1A1POLBHSD17B10
SCHEMBL27979494 0.78 HTT (0.88) HTTKDM4EALDH1A1POLBHSD17B10
SCHEMBL8392088 0.76 HTT (1.00) HTTKDM4EALDH1A1POLBHSD17B10

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