SCHEMBL7306274

SCHEMBL7306274

CCSC[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)NCCC[C@@](C#N)(c1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 3/20 0.36
CTSS P25774 2/20 0.36
LMNA P02545 1/20 0.35
PAX8 Q06710 1/20 0.35
NAAA Q02083 2/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4A O75164 1/20 0.33
CACNA1B Q00975 1/20 0.33
CTSB P07858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ABCB1 P08183 1/20 0.33

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 0.87 CTSL (0.50) EBPSIGMAR1CTSKCTSLCTSS
SCHEMBL7312048 0.85 FNTA (0.39) EBPSIGMAR1L3MBTL1CTSKCTSL
SCHEMBL7313580 0.85 FNTA (0.39) EBPSIGMAR1L3MBTL1CTSKCTSL
SCHEMBL7316235 0.85 FNTA (0.39) EBPSIGMAR1L3MBTL1CTSKCTSL
SCHEMBL7309770 0.84 EBP (0.44) EBPSIGMAR1L3MBTL1CTSKCTSL
SCHEMBL7314206 0.83 EBP (0.43) EBPSIGMAR1L3MBTL1CTSKCTSL
SCHEMBL7307758 0.83 EBP (0.43) EBPSIGMAR1L3MBTL1CTSKCTSL
SCHEMBL7305253 0.83 EBP (0.41) EBPSIGMAR1L3MBTL1CTSKCTSL
SCHEMBL7304195 0.83 EBP (0.41) EBPSIGMAR1L3MBTL1CTSKCTSL
SCHEMBL7315356 0.81 CTSS (0.46) EBPSIGMAR1L3MBTL1CTSKCTSL

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