SCHEMBL7488490

SCHEMBL7488490

CC(C)C[C@@H](C(=O)NC1(C#N)CC1)N(C(=O)c1ccccc1)c1csc(N2CCNCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.48
CTSL P07711 16/20 0.47
CTSS P25774 8/20 0.47
CTSB P07858 6/20 0.47
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7427147 0.83 CTSL (0.46) CTSKCTSLCTSSCTSB
SCHEMBL7451296 0.83 CTSL (0.47) CTSKCTSLCTSSCTSB
SCHEMBL7488479 0.74 CTSL (0.52) CTSKCTSLCTSSCTSBKCNH2
SCHEMBL6183387 0.74 CTSK (0.60) CTSKCTSLCTSSCTSB
SCHEMBL7606091 0.74 CTSK (0.60) CTSKCTSLCTSSCTSB
SCHEMBL4760512 0.74 CTSK (0.78) CTSKCTSLCTSSCTSBKCNH2
SCHEMBL4759913 0.73 CTSK (0.78) CTSKCTSLCTSSCTSBKCNH2
SCHEMBL7650778 0.67 CTSL (0.59) CTSKCTSLCTSSCTSB
SCHEMBL6183392 0.65 CTSB (0.49) CTSKCTSLCTSSCTSBKCNH2
SCHEMBL4760896 0.65 CTSK (0.72) CTSKCTSLCTSSCTSBKCNH2

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-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO claimed