SCHEMBL4821026

SCHEMBL4821026

Cn1c(C(=O)N2CCC(C)(C)C2)cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.54
▸ DRD2 P14416 2/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.48
▸ SLC9A1 P19634 1/20 0.47
▸ CHRNA7 P36544 1/20 0.46
▸ OPRM1 P35372 2/20 0.46
▸ OPRL1 P41146 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ DPP9 Q86TI2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ FASN P49327 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44

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
SCHEMBL4821039 1.00 MCL1 (0.54) MCL1DRD2DRD3HDAC6SLC9A1
SCHEMBL6141961 0.80 DRD2 (0.60) MCL1DRD2DRD3HDAC6SLC9A1
SCHEMBL29944143 0.80 MCL1 (0.59) MCL1DRD2DRD3HDAC6SLC9A1
SCHEMBL20846381 0.80 MCL1 (0.59) MCL1DRD2DRD3HDAC6SLC9A1
SCHEMBL31590301 0.78 MCL1 (0.56) MCL1DRD2DRD3HDAC6SLC9A1
SCHEMBL18889220 0.78 MCL1 (0.56) MCL1DRD2DRD3HDAC6SLC9A1
SCHEMBL4821035 0.77 MCL1 (0.52) MCL1DRD2DRD3HDAC6SLC9A1
SCHEMBL6482395 0.76 MCL1 (0.51) MCL1DRD2DRD3HDAC6SLC9A1
SCHEMBL6488760 0.75 AHR (0.57) MCL1DRD2DRD3HDAC6MEN1
SCHEMBL5775375 0.74 MCL1 (0.55) MCL1DRD2DRD3HDAC6SLC9A1

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
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
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