SCHEMBL4817700

SCHEMBL4817700

CC1(C)CCN(C(=O)Cc2cccc(Oc3ccccc3)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.56
SIGMAR1 Q99720 2/20 0.49
CCR8 P51685 3/20 0.48
KCNH2 Q12809 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RECQL P46063 1/20 0.47
BRS3 P32247 1/20 0.47
USP2 O75604 1/20 0.46
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4817713 1.00 FAAH (0.56) FAAHSIGMAR1CCR8KCNH2GAA
SCHEMBL4819750 0.84 CRBN (0.58) GAAKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4819767 0.84 CRBN (0.58) GAAKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4817706 0.81 FAAH (0.56) FAAHSIGMAR1CCR8GAAKDM4E
SCHEMBL4810908 0.79 KMT2A (0.48) SIGMAR1CCR8KCNH2KDM4EALDH1A1
SCHEMBL4810920 0.79 KMT2A (0.48) SIGMAR1CCR8KCNH2KDM4EALDH1A1
SCHEMBL4814889 0.77 MAPT (0.59) FAAHGAAALDH1A1LMNASMN1; SMN2
SCHEMBL16002953 0.76 CCR8 (0.56) FAAHSIGMAR1CCR8RECQLTPSAB1
SCHEMBL16000502 0.74 CCR8 (0.54) FAAHSIGMAR1CCR8TPSAB1TPSD1
SCHEMBL13636244 0.74 FAAH (0.51) FAAHSIGMAR1CCR8GAAKDM4E

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