SCHEMBL7353047

SCHEMBL7353047

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSS P25774 2/20 0.44
KLK5 Q9Y337 1/20 0.39
ELANE P08246 1/20 0.39
CTRB1 P17538 1/20 0.39
ACP3 P15309 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7307182 0.89 CTSK (0.44) CTSKCTSSKLK5MEN1KMT2A
SCHEMBL7304711 0.89 CTSK (0.44) CTSKCTSSKLK5MEN1KMT2A
SCHEMBL7314443 0.82 CTSK (0.48) CTSKCTSSKLK5
SCHEMBL7313867 0.82 CTSK (0.48) CTSKCTSSKLK5
SCHEMBL9229477 0.80 AKT1 (0.38) CTSKCTSSKLK5ELANEMEN1
SCHEMBL8385834 0.80 CTSK (0.54) CTSKCTSSMEN1KMT2A
SCHEMBL9185963 0.79 MEN1 (0.46) CTSKMEN1KMT2A
SCHEMBL9411093 0.78 MAPT (0.47) CTSKCTSSMEN1KMT2A
SCHEMBL6862901 0.78 ALDH1A1 (0.51) CTSKCTSSMEN1KMT2A
SCHEMBL8083658 0.78 CTSK (0.46) CTSKCTSSMEN1KMT2A

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