SCHEMBL6693219

SCHEMBL6693219

COc1ccc(NCCNC(=O)C(CNC(=O)c2ccc(C)c(Br)c2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.57
CTSL P07711 12/20 0.57
CTSK P43235 14/20 0.51

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
SCHEMBL6693130 0.87 CTSL (0.61) CTSSCTSLCTSK
SCHEMBL6690048 0.86 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL6690841 0.86 CTSL (0.65) CTSSCTSLCTSK
SCHEMBL6685227 0.85 CTSS (0.55) CTSSCTSLCTSK
SCHEMBL6687754 0.82 CTSL (0.69) CTSSCTSLCTSK
SCHEMBL6685224 0.82 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL6687778 0.82 CTSL (0.64) CTSSCTSLCTSK
SCHEMBL6686677 0.81 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL6688735 0.81 CTSL (0.71) CTSSCTSLCTSK
SCHEMBL6687707 0.81 CTSL (0.58) 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