SCHEMBL6690169

SCHEMBL6690169

COc1ccc(NCCNC(=O)C(CCCNC(=O)c2cccc(C)c2)C2CCCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.73
CTSS P25774 18/20 0.73
CTSK P43235 6/20 0.73

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
SCHEMBL6685381 0.95 CTSL (0.75) CTSLCTSSCTSK
SCHEMBL6692650 0.84 CTSS (0.60) CTSLCTSSCTSK
SCHEMBL6691086 0.83 CTSS (0.59) CTSLCTSSCTSK
SCHEMBL6692456 0.81 CTSS (0.62) CTSLCTSSCTSK
SCHEMBL6686394 0.81 CTSL (0.72) CTSLCTSSCTSK
SCHEMBL6687230 0.81 CTSS (0.56) CTSLCTSSCTSK
SCHEMBL6687678 0.80 CTSS (0.71) CTSLCTSSCTSK
SCHEMBL5842539 0.80 CTSL (1.00) CTSLCTSSCTSK
SCHEMBL5842545 0.80 CTSL (1.00) CTSLCTSSCTSK
SCHEMBL6690860 0.80 CTSS (0.61) 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-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed