SCHEMBL7315356

SCHEMBL7315356

CC(C)[C@@](C#N)(CCCNC(=O)[C@H](Cc1cccs1)NC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CTSC P53634 7/20 0.41
ADAM17 P78536 2/20 0.37
EBP Q15125 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CTSL P07711 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PGGT1B P53609 2/20 0.34

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
SCHEMBL7304422 0.84 CTSL (0.50) CTSSCTSKEBPSIGMAR1CTSL
SCHEMBL7309770 0.82 EBP (0.44) CTSSCTSKEBPSIGMAR1CTSL
SCHEMBL7307758 0.81 EBP (0.43) CTSSCTSKEBPSIGMAR1CTSL
SCHEMBL7314206 0.81 EBP (0.43) CTSSCTSKEBPSIGMAR1CTSL
SCHEMBL7313580 0.81 FNTA (0.39) CTSSCTSKEBPSIGMAR1CTSL
SCHEMBL7306274 0.81 EBP (0.39) CTSSCTSKEBPSIGMAR1CTSL
SCHEMBL7316235 0.81 FNTA (0.39) CTSSCTSKEBPSIGMAR1CTSL
SCHEMBL7312048 0.81 FNTA (0.39) CTSSCTSKEBPSIGMAR1CTSL
SCHEMBL7307137 0.80 REN (0.44) CTSL
SCHEMBL7304195 0.79 EBP (0.41) CTSSCTSKEBPSIGMAR1CTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed