SCHEMBL7316663

SCHEMBL7316663

CSCC[C@H](NCCc1ccccc1)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
CTSK P43235 3/20 0.48
CTSS P25774 2/20 0.48
KLK5 Q9Y337 1/20 0.47
KLK7 P49862 1/20 0.46
CA1 P00915 1/20 0.46
BACE1 P56817 7/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BACE2 Q9Y5Z0 1/20 0.45

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
SCHEMBL7307839 0.90 ANPEP (0.49) CTSKCTSSKLK5KLK7CA1
SCHEMBL7317918 0.86 CTSK (0.46) CA2CTSKCTSSKLK5KLK7
SCHEMBL8613335 0.85 CTSK (0.65) CTSKCTSS
SCHEMBL7305458 0.84 CTSK (0.46) CA2CTSKCTSSKLK5KLK7
SCHEMBL8936109 0.82 CA1 (0.57) CA2CA1
SCHEMBL7317017 0.81 CTSK (0.47) CA2CTSKCTSSKLK5KLK7
SCHEMBL6619716 0.80 KLK7 (0.58) CA2CTSKCTSSKLK5KLK7
SCHEMBL6619713 0.80 KLK7 (0.58) CA2CTSKCTSSKLK5KLK7
SCHEMBL8613638 0.80 CA2 (0.52) CA2CTSKCTSSKLK5ALDH1A1
SCHEMBL7311059 0.80 CTSK (0.47) CA2CTSKCTSSKLK5KLK7

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