SCHEMBL4814550

SCHEMBL4814550

CC1(C)CCN(C(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
HPGD P15428 1/20 0.62
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
AKR1C1 Q04828 1/20 0.57
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 2/20 0.50

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
SCHEMBL4814542 1.00 TSHR (0.62) TSHRHPGDNPC1RAB9AAKR1C1
SCHEMBL4818101 0.81 CRBN (0.56) TSHRHPGDALDH1A1
SCHEMBL4818087 0.81 CRBN (0.56) TSHRHPGDALDH1A1
SCHEMBL4310722 0.81 TSHR (0.84) TSHRHPGDNPC1RAB9AAKR1C1
SCHEMBL4813560 0.79 MAPK1 (0.61) TSHRHPGDLMNAALDH1A1USP2
SCHEMBL4818069 0.78 MAPK14 (0.54) LMNAMAPTHTR1A
SCHEMBL4818082 0.78 MAPK14 (0.54) LMNAMAPTHTR1A
SCHEMBL7218802 0.78 HPGD (0.73) TSHRHPGDNPC1RAB9AAKR1C1
SCHEMBL27302984 0.77 CA12 (0.61) TSHRHPGDNPC1RAB9AAKR1C1
SCHEMBL4548025 0.77 TSHR (1.00) TSHRHPGDNPC1RAB9AAKR1C1

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