SCHEMBL4814970

SCHEMBL4814970

CC1(C)CCN(C(=O)c2cc3ccccc3s2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.63
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
DPP4 P27487 2/20 0.52
DPP8 Q6V1X1 1/20 0.52
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
HTR1A P08908 1/20 0.50
BCL2L1 Q07817 1/20 0.50
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL4814960 1.00 HRH4 (0.67) HRH4L3MBTL1CA12CA1CA2
SCHEMBL15465691 0.81 HRH4 (0.63) HRH4L3MBTL1CA12CA1CA2
SCHEMBL18071180 0.80 HRH4 (1.00) HRH4L3MBTL1CA12CA1CA2
SCHEMBL24416092 0.80 HRH4 (0.74) HRH4L3MBTL1CA12CA1CA2
SCHEMBL933006 0.77 HRH4 (0.70) HRH4L3MBTL1CA12CA1CA2
SCHEMBL4814966 0.77 HRH4 (0.54) HRH4L3MBTL1CA12CA1CA2
Ethylene SCHEMBL8547383 0.76 HRH4 (0.68) HRH4L3MBTL1CA12CA1CA2
SCHEMBL20695172 0.75 HRH4 (0.52) HRH4L3MBTL1CA12CA1CA2
SCHEMBL2214270 0.74 HRH4 (0.58) HRH4L3MBTL1CA12CA1CA2
SCHEMBL4814550 0.74 TSHR (0.62) CA12CA1CA2CA7CA9

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