SCHEMBL4817495

SCHEMBL4817495

Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C)(C)C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
ALDH1A1 P00352 3/20 0.71
KMT2A Q03164 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.70
HTT P42858 1/20 0.70
TSHR P16473 4/20 0.68
USP2 O75604 1/20 0.68
NPC1 O15118 1/20 0.61
NPSR1 Q6W5P4 2/20 0.57
KDM4E B2RXH2 3/20 0.57
GAA P10253 2/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.54

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
SCHEMBL4817503 1.00 LMNA (0.71) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL3549274 0.83 ALDH1A1 (0.72) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL3539489 0.83 KMT2A (1.00) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL3553134 0.83 SMN1; SMN2 (0.97) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL3553965 0.81 TSHR (1.00) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL3546099 0.80 KMT2A (0.79) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL2701002 0.80 ALDH1A1 (0.67) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL4817499 0.80 KMT2A (0.59) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL3548423 0.78 KMT2A (0.83) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL6406984 0.77 KMT2A (0.59) LMNAALDH1A1KMT2ASMN1; SMN2HTT

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