SCHEMBL4820548

SCHEMBL4820548

CC1(C)CCN(C(=O)c2csc(-c3ccncc3)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
HTR2C P28335 4/20 0.44
SPR P35270 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHEK1 O14757 1/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL4820539 1.00 HPGD (0.51) HPGDCNR1CNR2HTR2CSPR
SCHEMBL4820545 0.79 HPGD (0.50) HPGDCNR1CNR2LMNAMAPT
SCHEMBL3104264 0.78 CNR1 (0.56) HPGDCNR1CNR2HTR2CMEN1
SCHEMBL4813097 0.77 ALDH1A1 (0.52) HTR2CSPRMAPTCYP3A4CYP2D6
SCHEMBL4813107 0.77 ALDH1A1 (0.52) HTR2CSPRMAPTCYP3A4CYP2D6
SCHEMBL13092191 0.72 CNR1 (0.47) HPGDCNR1CNR2CHEK1CYP2C9
SCHEMBL8278408 0.72 HPGD (0.69) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL3320841 0.71 HPGD (0.44) HPGDCNR1CNR2HTR2CLMNA
SCHEMBL3320848 0.71 HPGD (0.44) HPGDCNR1CNR2HTR2CLMNA
SCHEMBL27768683 0.71 HPGD (0.68) HPGDLMNAMAPTMEN1KMT2A

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