SCHEMBL7098735

SCHEMBL7098735

O=C(NC(CC1CCCCC1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.59
CTSS P25774 15/20 0.59
CTSL P07711 15/20 0.59
CTSB P07858 6/20 0.59
CTSV O60911 1/20 0.58

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
SCHEMBL6885960 1.00 CTSK (0.59) CTSKCTSSCTSLCTSBCTSV
SCHEMBL7103015 0.88 CTSK (0.60) CTSKCTSSCTSLCTSBCTSV
SCHEMBL8339529 0.86 CTSK (0.64) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6409369 0.86 CTSK (0.51) CTSKCTSSCTSLCTSBCTSV
SCHEMBL8337747 0.84 CTSK (0.77) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6072824 0.84 CTSK (0.77) CTSKCTSSCTSLCTSBCTSV
SCHEMBL14040700 0.84 CTSK (0.82) CTSKCTSSCTSLCTSBCTSV
SCHEMBL14131372 0.84 CTSK (0.82) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6740265 0.81 CTSK (0.59) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6740268 0.81 CTSK (0.59) CTSKCTSSCTSLCTSBCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278502-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-21 EP claimed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 EP claimed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO claimed