SCHEMBL4814546

SCHEMBL4814546

CC1(C)C[CH]N(C(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 2/20 0.48
AKR1C1 Q04828 1/20 0.46
LMNA P02545 2/20 0.45
ENPP3 O14638 2/20 0.45
ALPL P05186 2/20 0.45
XIAP P98170 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL4818095 0.82 MAPK1 (0.43) TSHRHPGDLMNAMEN1KMT2A
SCHEMBL4813567 0.79 POLB (0.48) TSHRHPGDRAB9ALMNAMEN1
SCHEMBL4818078 0.79 MAPK14 (0.45) RAB9ALMNAMAPT
SCHEMBL4814542 0.75 TSHR (0.62) TSHRHPGDRAB9ANPC1AKR1C1
SCHEMBL4814550 0.75 TSHR (0.62) TSHRHPGDRAB9ANPC1AKR1C1
SCHEMBL4814966 0.75 HRH4 (0.54) RAB9ACA12CA1CA2CA7
SCHEMBL4815472 0.75 HPGD (0.52) TSHRHPGDRAB9ANPC1MEN1
SCHEMBL4815801 0.71 F7 (0.46) TSHRHPGDMEN1KMT2AALDH1A1
SCHEMBL4310722 0.70 TSHR (0.84) TSHRHPGDRAB9ANPC1AKR1C1
SCHEMBL12576936 0.69 AVPR1A (0.74) LMNAMEN1KMT2AALDH1A1HTT

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