SCHEMBL6685227

SCHEMBL6685227

COc1ccc(NCCNC(=O)C(CNC(=O)c2cc(C)c(C)cc2C)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.55
CTSL P07711 11/20 0.55
CTSK P43235 15/20 0.52

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
SCHEMBL6693581 0.86 CTSL (0.53) CTSSCTSLCTSK
SCHEMBL6690048 0.85 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL6693219 0.85 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL6690841 0.83 CTSL (0.65) CTSSCTSLCTSK
SCHEMBL6685224 0.81 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL6686677 0.81 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL6693130 0.81 CTSL (0.61) CTSSCTSLCTSK
SCHEMBL5841966 0.80 CTSS (0.72) CTSSCTSLCTSK
SCHEMBL5841962 0.80 CTSS (0.72) CTSSCTSLCTSK
SCHEMBL6687754 0.79 CTSL (0.69) CTSSCTSLCTSK

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