SCHEMBL8339529

SCHEMBL8339529

O=C(N[C@@H](CC1CCCCC1)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1ccc(C(F)(F)F)o1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.64
CTSL P07711 15/20 0.61
CTSS P25774 14/20 0.61
CTSB P07858 6/20 0.61
CTSV O60911 1/20 0.60

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
SCHEMBL7103015 0.88 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6885960 0.86 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7098735 0.86 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL8337747 0.86 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6072824 0.86 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131372 0.85 CTSK (0.82) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14040700 0.85 CTSK (0.82) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6740268 0.83 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6740265 0.83 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6073060 0.82 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed