SCHEMBL4821271

SCHEMBL4821271

CC1(C)CCN(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.61
TSHR P16473 4/20 0.59
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP1A2 P05177 6/20 0.56
CYP3A4 P08684 5/20 0.56
USP2 O75604 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 2/20 0.55
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 2/20 0.54
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALOX15 P16050 1/20 0.51

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
SCHEMBL4821263 1.00 CYP2D6 (0.61) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL7603412 0.89 TSHR (0.68) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL7606500 0.85 POLB (0.56) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL18221876 0.85 PKM (0.59) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL18065510 0.83 ALDH1A1 (0.48) TSHRALDH1A1
SCHEMBL6519705 0.80 CYP2D6 (0.71) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL7824315 0.76 CYP2D6 (1.00) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL4817953 0.76 TSHR (0.57) TSHRALDH1A1KMT2APOLBCYP2C19
SCHEMBL4817960 0.76 TSHR (0.57) TSHRALDH1A1KMT2APOLBCYP2C19
SCHEMBL735657 0.75 POLB (0.80) CYP2D6TSHRALDH1A1SMN1; SMN2POLB

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