SCHEMBL4817869

SCHEMBL4817869

CC1(C)C[CH]N(C(=O)Cc2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
USP2 O75604 1/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
APEX1 P27695 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL4819758 0.84 ALDH1A1 (0.50) HSD11B1USP2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4814895 0.82 NAAA (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4820075 0.82 KCNH2 (0.39) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL4817875 0.76 HSD11B1 (0.68) HSD11B1USP2POLBSMN1; SMN2ALDH1A1
SCHEMBL4817865 0.76 HSD11B1 (0.68) HSD11B1USP2POLBSMN1; SMN2ALDH1A1
SCHEMBL7958356 0.68 POLB (0.47) HSD11B1USP2POLBSMN1; SMN2ALDH1A1
SCHEMBL26179616 0.67 POLB (0.71) HSD11B1POLBSMN1; SMN2ALDH1A1ME2
SCHEMBL4815631 0.67 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL4548020 0.67 POLB (0.69) HSD11B1POLBSMN1; SMN2ALDH1A1ME2
SCHEMBL3170967 0.66 SMN1; SMN2 (0.70) HSD11B1POLBSMN1; SMN2ALDH1A1ME2

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 4 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