SCHEMBL6642986

SCHEMBL6642986

Cc1coc(C(=O)N[C@@H](CC(C)C)C(=O)NC2CCCN(C(=O)Nc3ccccc3F)CC2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.50
CTSL P07711 16/20 0.50
CTSS P25774 14/20 0.50
CTSB P07858 5/20 0.49
CTSV O60911 1/20 0.49

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
SCHEMBL6642996 1.00 CTSK (0.50) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6642990 1.00 CTSK (0.50) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6630605 0.87 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6630600 0.87 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6630602 0.87 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6640248 0.86 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6640240 0.86 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6640243 0.86 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6643517 0.83 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6643511 0.83 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV

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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP claimed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO claimed