SCHEMBL7316944

SCHEMBL7316944

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 3/20 0.37
CTSS P25774 3/20 0.37
CTSB P07858 1/20 0.37
KDM4A O75164 1/20 0.35
NAAA Q02083 2/20 0.34
LMNA P02545 1/20 0.33
PAX8 Q06710 1/20 0.33
CTSK P43235 2/20 0.32

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
SCHEMBL7305253 0.83 EBP (0.41) MEN1KMT2ASMN1; SMN2CTSLCTSS
SCHEMBL7304195 0.83 EBP (0.41) MEN1KMT2ASMN1; SMN2CTSLCTSS
SCHEMBL7304663 0.74 FNTA (0.40) SMN1; SMN2LMNA
SCHEMBL7307758 0.73 EBP (0.43) KMT2ACTSLCTSSKDM4ANAAA
SCHEMBL7314206 0.73 EBP (0.43) KMT2ACTSLCTSSKDM4ANAAA
SCHEMBL7314859 0.72 TBXA2R (0.35) SMN1; SMN2
SCHEMBL7309109 0.71 CA1 (0.43) KMT2ACTSSCTSK
SCHEMBL7309770 0.70 EBP (0.44) KMT2ACTSLCTSSKDM4ANAAA
SCHEMBL7306148 0.68 CTSL (0.51) CTSLCTSSCTSBCTSK
SCHEMBL7304422 0.67 CTSL (0.50) CTSLCTSSCTSBCTSK

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