SCHEMBL19982968

SCHEMBL19982968

NCCCCC[C@H](NC(=O)c1ccncc1)C(=O)COc1c(F)ccc(F)c1F

nearest known ligand 0.98

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.70
CTSL P07711 4/20 0.64
CTSB P07858 3/20 0.64
CTSH P09668 3/20 0.64
CTSS P25774 3/20 0.64
CTSF Q9UBX1 2/20 0.64
CTSV O60911 1/20 0.52

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
SCHEMBL19983102 0.99 CTSK (0.71) CTSKCTSLCTSBCTSHCTSS
SCHEMBL30716868 0.99 CTSK (0.71) CTSKCTSLCTSBCTSHCTSS
SCHEMBL19983196 0.99 CTSK (0.71) CTSKCTSLCTSBCTSHCTSS
SCHEMBL25658845 0.91 CTSK (0.61) CTSKCTSLCTSBCTSHCTSS
SCHEMBL25658806 0.91 CTSK (0.61) CTSKCTSLCTSBCTSHCTSS
SCHEMBL19982987 0.87 CTSK (0.69) CTSKCTSLCTSBCTSHCTSS
SCHEMBL30716866 0.87 CTSK (0.69) CTSKCTSLCTSBCTSHCTSS
SCHEMBL19983103 0.87 CTSK (0.69) CTSKCTSLCTSBCTSHCTSS
SCHEMBL22292206 0.84 CTSK (0.98) CTSKCTSLCTSBCTSHCTSS
SCHEMBL30716864 0.82 CTSK (1.00) CTSKCTSLCTSBCTSHCTSS

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-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 WO disclosed