SCHEMBL7315152

SCHEMBL7315152

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CYP3A4 P08684 2/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ABCB1 P08183 3/20 0.36
ANPEP P15144 1/20 0.36
CYP3A5 P20815 1/20 0.36
CTSL P07711 1/20 0.35
CACNA1B Q00975 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TACR3 P29371 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
SCHEMBL7307758 0.88 EBP (0.43) EBPSIGMAR1CYP3A4CTSSCTSK
SCHEMBL7314206 0.88 EBP (0.43) EBPSIGMAR1CYP3A4CTSSCTSK
SCHEMBL7318454 0.87 EBP (0.43) EBPSIGMAR1CYP3A4CTSSCTSK
SCHEMBL7306594 0.83 EBP (0.43) EBPSIGMAR1CYP3A4L3MBTL1ABCB1
SCHEMBL7305541 0.83 EBP (0.43) EBPSIGMAR1CYP3A4L3MBTL1ABCB1
SCHEMBL7303551 0.80 EBP (0.48) EBPSIGMAR1CYP3A4L3MBTL1ABCB1
SCHEMBL7304195 0.80 EBP (0.41) EBPSIGMAR1CYP3A4CTSSCTSK
SCHEMBL7305253 0.80 EBP (0.41) EBPSIGMAR1CYP3A4CTSSCTSK
SCHEMBL7314222 0.79 EBP (0.44) EBPSIGMAR1CYP3A4CTSSCTSK
SCHEMBL7309770 0.79 EBP (0.44) EBPSIGMAR1CYP3A4CTSSCTSK

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