SCHEMBL5872548

SCHEMBL5872548

CC(C)C[C@H](Nc1nscc1-c1ccc(N2CCNCC2)nc1)C(=O)NCC#N

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.60
CTSB P07858 15/20 0.60
CTSS P25774 14/20 0.60
CTSK P43235 9/20 0.60
RET P07949 1/20 0.38

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
SCHEMBL4698985 0.90 CTSL (0.57) CTSLCTSBCTSSCTSK
SCHEMBL4703668 0.89 CTSL (0.75) CTSLCTSBCTSSCTSK
SCHEMBL4698975 0.87 CTSL (0.72) CTSLCTSBCTSSCTSK
SCHEMBL4702191 0.87 CTSL (0.80) CTSLCTSBCTSSCTSK
SCHEMBL4700767 0.85 CTSL (0.58) CTSLCTSBCTSSCTSK
SCHEMBL4698891 0.79 CTSL (0.61) CTSLCTSBCTSSCTSK
SCHEMBL4699311 0.79 CTSS (0.61) CTSLCTSBCTSSCTSK
SCHEMBL4699998 0.79 CTSK (0.57) CTSLCTSBCTSSCTSK
SCHEMBL4702312 0.78 CTSB (0.51) CTSLCTSBCTSSCTSK
SCHEMBL4700189 0.78 CTSL (0.57) CTSLCTSBCTSSCTSK

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
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US claimed