SCHEMBL6685236

SCHEMBL6685236

COc1ccc(NCCNC(=O)C(CNC(=O)c2cccc(C#N)c2)C2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.60
CTSL P07711 16/20 0.60
CTSK P43235 8/20 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
SCHEMBL6688266 0.90 HTR2B (0.47) CTSSCTSLCTSK
SCHEMBL6687678 0.88 CTSS (0.71) CTSSCTSLCTSK
SCHEMBL6692456 0.87 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL6690368 0.87 CTSS (0.58) CTSSCTSLCTSK
SCHEMBL6690860 0.86 CTSS (0.61) CTSSCTSLCTSK
SCHEMBL6690825 0.86 CTSS (0.61) CTSSCTSLCTSK
SCHEMBL6685947 0.86 CTSS (0.61) CTSSCTSLCTSK
SCHEMBL6690040 0.84 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL5844122 0.83 CTSS (0.79) CTSSCTSLCTSK
SCHEMBL5844131 0.83 CTSS (0.79) 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