Sugi Predict

Sugi Predict / Compounds / SCHEMBL6646844

SCHEMBL6646844

SCHEMBL6646844

CCCC([C](C)C(=O)C(=O)N[C@@H](C)c1ccccc1)C1(COc2ccnc(N3CCN(C)CC3)n2)CCC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 17/20 0.65
▸ ACACB O00763 2/20 0.42
▸ ACHE P22303 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37

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
SCHEMBL6646848 0.82 CTSK (0.63) CTSKACACBACHECTSLCTSS
SCHEMBL14260267 0.79 CTSK (1.00) CTSKCTSLCTSS
SCHEMBL4910220 0.78 CTSK (0.73) CTSKCTSLCTSS
SCHEMBL4910235 0.77 CTSK (0.66) CTSKACACBCTSLCTSS
SCHEMBL6492755 0.76 CTSK (0.66) CTSKCTSLCTSS
SCHEMBL6492760 0.76 CTSK (0.61) CTSKACACBACHECTSLCTSS
SCHEMBL14260268 0.75 CTSK (0.77) CTSKCTSLCTSS
SCHEMBL4907491 0.75 CTSK (0.64) CTSKACACBCTSLCTSS
SCHEMBL4907528 0.74 CTSK (0.61) CTSKACACBACHECTSLCTSS
SCHEMBL14260284 0.73 CTSK (1.00) CTSKCTSLCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 — — EP disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 — — WO disclosed