SCHEMBL6690182

SCHEMBL6690182

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.53
CTSL P07711 11/20 0.53
CTSK P43235 8/20 0.53
P2RX7 Q99572 1/20 0.45

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
SCHEMBL6685237 0.88 CTSS (0.51) CTSSCTSLCTSK
SCHEMBL6689372 0.88 CTSS (0.55) CTSSCTSLCTSKP2RX7
SCHEMBL6690165 0.88 CTSS (0.54) CTSSCTSLCTSK
SCHEMBL6693232 0.87 CTSS (0.56) CTSSCTSLCTSKP2RX7
SCHEMBL6685373 0.85 CTSS (0.51) CTSSCTSLCTSK
SCHEMBL6693352 0.84 CTSS (0.57) CTSSCTSLCTSKP2RX7
SCHEMBL6692456 0.83 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL6687985 0.82 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL5842193 0.82 CTSS (0.68) CTSSCTSLCTSK
SCHEMBL5842199 0.82 CTSS (0.68) 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