SCHEMBL6685237

SCHEMBL6685237

COc1ccc(NCCNC(=O)C(CNC(=O)c2cccc(C(F)(F)F)c2F)C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.51
CTSL P07711 12/20 0.51
CTSK P43235 7/20 0.51
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43

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
SCHEMBL6690182 0.88 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL6690165 0.86 CTSS (0.54) CTSSCTSLCTSK
SCHEMBL6693232 0.85 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL6689155 0.84 CTSS (0.50) CTSSCTSLCTSK
SCHEMBL6687326 0.84 CTSS (0.50) CTSSCTSLCTSK
SCHEMBL6689372 0.83 CTSS (0.55) CTSSCTSLCTSK
SCHEMBL6690860 0.83 CTSS (0.61) CTSSCTSLCTSK
SCHEMBL5844298 0.83 CTSS (0.66) CTSSCTSLCTSK
SCHEMBL5844304 0.83 CTSS (0.66) CTSSCTSLCTSK
SCHEMBL6693060 0.81 CTSS (0.52) 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