SCHEMBL7303744

SCHEMBL7303744

CSCC[C@@H](C(=O)NC(=O)OC(C)(C)C)N(C)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.40
CTSS P25774 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KLK5 Q9Y337 1/20 0.38
KLK7 P49862 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
AKT1 P31749 1/20 0.37
CA2 P00918 1/20 0.37
BACE1 P56817 3/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 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
SCHEMBL7314585 0.86 AKT1 (0.47) CTSKCTSSALDH1A1MEN1LMNA
SCHEMBL7317918 0.78 CTSK (0.46) CTSKCTSSALDH1A1MEN1LMNA
SCHEMBL7305458 0.78 CTSK (0.46) CTSKCTSSALDH1A1MEN1LMNA
SCHEMBL7317017 0.76 CTSK (0.47) CTSKCTSSALDH1A1MEN1LMNA
SCHEMBL8086805 0.76 HTR2A (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7311059 0.76 CTSK (0.47) CTSKCTSSALDH1A1MEN1LMNA
SCHEMBL7307839 0.72 ANPEP (0.49) CTSKCTSSALDH1A1MEN1LMNA
SCHEMBL7316663 0.71 CA2 (0.53) CTSKCTSSALDH1A1MEN1LMNA
SCHEMBL7302612 0.70 EBP (0.41) LMNAMMP1MMP2MMP3MMP9
SCHEMBL6862901 0.70 ALDH1A1 (0.51) CTSKCTSSALDH1A1MEN1KMT2A

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