SCHEMBL7450638

SCHEMBL7450638

CC(C)C[C@H](NC(=O)c1scc2ccccc12)C(=O)N1CCC=CC(N)C(O)C1S(=O)(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.39
CTSL P07711 16/20 0.39
CTSS P25774 13/20 0.39
CTSB P07858 5/20 0.38
CTSV O60911 2/20 0.38

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
SCHEMBL7453377 0.89 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7446348 0.87 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7450642 0.86 TRPV4 (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453952 0.86 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453958 0.85 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7451425 0.81 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7445830 0.80 HRH1 (0.35) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7449697 0.75 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7445866 0.75 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL7449707 0.74 CTSK (0.57) 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-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP disclosed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed