SCHEMBL7307839

SCHEMBL7307839

CSCC[C@H](NCc1ccccc1)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.49
BACE1 P56817 11/20 0.49
BACE2 Q9Y5Z0 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
KLK5 Q9Y337 1/20 0.47
KLK7 P49862 1/20 0.47
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
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 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
SCHEMBL7316663 0.90 CA2 (0.53) BACE1BACE2CTSSCTSKKLK5
SCHEMBL7317918 0.85 CTSK (0.46) BACE1CTSSCTSKKLK5KLK7
SCHEMBL7305458 0.85 CTSK (0.46) BACE1CTSSCTSKKLK5KLK7
SCHEMBL31291804 0.81 CTSK (0.65) ANPEPBACE1BACE2CTSSCTSK
SCHEMBL7317017 0.81 CTSK (0.47) BACE1BACE2CTSSCTSKKLK5
SCHEMBL6619713 0.81 KLK7 (0.58) ANPEPBACE1CTSSCTSKKLK5
SCHEMBL6619716 0.81 KLK7 (0.58) ANPEPBACE1CTSSCTSKKLK5
SCHEMBL526076 0.81 ANPEP (0.58) ANPEPALDH1A1LMNA
SCHEMBL526077 0.81 ANPEP (0.58) ANPEPALDH1A1LMNA
SCHEMBL7311059 0.81 CTSK (0.47) BACE1BACE2CTSSCTSKKLK5

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