SCHEMBL6694065

SCHEMBL6694065

COc1ccc(NCC(C)NC(=O)C[C@@H](C)CCNC(=O)c2cccc(C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.61
CTSS P25774 17/20 0.61
CTSK P43235 7/20 0.61
ATM Q13315 1/20 0.50

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
SCHEMBL6690816 0.86 CTSL (0.49) CTSLCTSSCTSKATM
SCHEMBL4802738 0.76 CTSS (1.00) CTSLCTSSCTSK
SCHEMBL4796814 0.76 CTSS (1.00) CTSLCTSSCTSK
SCHEMBL4797519 0.76 CTSS (1.00) CTSLCTSSCTSK
SCHEMBL4796808 0.76 CTSS (1.00) CTSLCTSSCTSK
SCHEMBL6687342 0.74 NPC1 (0.51) ATM
SCHEMBL6686226 0.74 CTSL (0.51) CTSLCTSSCTSK
SCHEMBL6689745 0.73 CTSL (0.75) CTSLCTSSCTSK
SCHEMBL6687754 0.71 CTSL (0.69) CTSLCTSSCTSK
SCHEMBL5843295 0.71 CTSL (0.92) CTSLCTSSCTSK

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-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed