SCHEMBL7400028

SCHEMBL7400028

CC(CCC(=O)NCC#N)Cc1cccc(-c2ccc3cccnc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.44
CTSL P07711 12/20 0.44
CTSB P07858 11/20 0.44
CTSK P43235 4/20 0.43
CTSV O60911 7/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39
LIPG Q9Y5X9 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
SCHEMBL7396957 0.85 CTSS (0.44) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7392809 0.83 NTSR1 (0.45) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7401952 0.81 CTSS (0.51) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7400496 0.80 CTSS (0.60) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7399686 0.80 CTSS (0.47) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7401735 0.78 CTSS (0.48) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7447689 0.77 CTSS (0.43) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7395140 0.77 CTSS (0.44) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7400518 0.77 CTSS (0.47) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7441160 0.77 CTSS (0.43) CTSSCTSLCTSBCTSKCTSV

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-2001049288-A9 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2001-10-25 WO disclosed