SCHEMBL7305253

SCHEMBL7305253

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSS P25774 2/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4A O75164 1/20 0.38
NAAA Q02083 2/20 0.37
CTSK P43235 1/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL7304195 1.00 EBP (0.41) EBPSIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL7307758 0.91 EBP (0.43) EBPSIGMAR1KMT2ACTSSCTSL
SCHEMBL7314206 0.91 EBP (0.43) EBPSIGMAR1KMT2ACTSSCTSL
SCHEMBL7309770 0.88 EBP (0.44) EBPSIGMAR1KMT2ACTSSCTSL
SCHEMBL7304422 0.84 CTSL (0.50) EBPSIGMAR1CTSSCTSLCTSB
SCHEMBL7318454 0.84 EBP (0.43) EBPSIGMAR1KMT2ACTSSCTSL
SCHEMBL7306274 0.83 EBP (0.39) EBPSIGMAR1CTSSCTSLCTSB
SCHEMBL7316944 0.83 MEN1 (0.37) MEN1KMT2ASMN1; SMN2CTSSCTSL
SCHEMBL7306594 0.82 EBP (0.43) EBPSIGMAR1KMT2AL3MBTL1NAAA
SCHEMBL7305541 0.82 EBP (0.43) EBPSIGMAR1KMT2AL3MBTL1NAAA

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