SCHEMBL6617658

SCHEMBL6617658

CCCCC(NC(=O)O)C(=O)Nc1ccn[nH]1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.55
PKM P14618 1/20 0.47
CTSL P07711 5/20 0.44
CTSS P25774 5/20 0.44
FFAR2 O15552 1/20 0.44
HSPA5 P11021 1/20 0.44
CTSV O60911 4/20 0.40
CTSB P07858 4/20 0.40
EHMT2 Q96KQ7 2/20 0.39
MME P08473 1/20 0.39

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
SCHEMBL6614274 0.88 CTSK (0.71) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4317649 0.88 CTSK (0.71) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4317659 0.88 CTSK (0.71) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6404414 0.84 CTSK (0.50) CTSKPKMCTSLCTSSFFAR2
SCHEMBL6215913 0.84 CTSK (0.50) CTSKPKMCTSLCTSSFFAR2
SCHEMBL4811319 0.84 CTSK (0.50) CTSKPKMCTSLCTSSFFAR2
SCHEMBL4811438 0.84 CTSK (0.50) CTSKPKMCTSLCTSSFFAR2
SCHEMBL4811407 0.84 CTSK (0.50) CTSKPKMCTSLCTSSFFAR2
SCHEMBL4811302 0.84 CTSK (0.50) CTSKPKMCTSLCTSSFFAR2
SCHEMBL6406972 0.77 CTSK (0.47) CTSKPKMCTSLCTSSFFAR2

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-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed