SCHEMBL6687577

SCHEMBL6687577

COc1ccc(NCCN(C)C(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.72
CTSS P25774 19/20 0.72
CTSK P43235 13/20 0.72

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
SCHEMBL6686222 0.83 CTSS (0.62) CTSLCTSSCTSK
SCHEMBL4797519 0.80 CTSS (1.00) CTSLCTSSCTSK
SCHEMBL4802738 0.80 CTSS (1.00) CTSLCTSSCTSK
SCHEMBL4796814 0.80 CTSS (1.00) CTSLCTSSCTSK
SCHEMBL4796808 0.80 CTSS (1.00) CTSLCTSSCTSK
SCHEMBL4800543 0.76 CTSL (0.75) CTSLCTSSCTSK
SCHEMBL4800528 0.76 CTSL (0.75) CTSLCTSSCTSK
SCHEMBL5843006 0.74 CTSL (1.00) CTSLCTSSCTSK
SCHEMBL5843003 0.74 CTSL (1.00) CTSLCTSSCTSK
SCHEMBL4206948 0.74 TAS1R3 (0.75) CTSLCTSSCTSK

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-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed