SCHEMBL7313867

SCHEMBL7313867

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSS P25774 5/20 0.48
CXCR3 P49682 1/20 0.41
APP P05067 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SYK P43405 1/20 0.40
KLK5 Q9Y337 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL7314443 1.00 CTSK (0.48) CTSKCTSSCXCR3APPCTSL
SCHEMBL7313561 0.87 CTSK (0.47) CTSKCTSSCXCR3CTSLCTSB
SCHEMBL7309512 0.83 CA12 (0.50) CTSKCTSSCTSLCTSBKLK5
SCHEMBL7301520 0.82 CTSK (0.44) CTSKCTSSCXCR3CTSLCTSB
SCHEMBL8613638 0.82 CA2 (0.52) CTSKCTSSCTSLCTSBKLK5
SCHEMBL7307182 0.82 CTSK (0.44) CTSKCTSSAPPKLK5ATM
SCHEMBL7353047 0.82 CTSK (0.45) CTSKCTSSKLK5
SCHEMBL7304711 0.82 CTSK (0.44) CTSKCTSSAPPKLK5ATM
SCHEMBL9229164 0.79 SDCBP (0.48) CTSKCTSS
SCHEMBL7834971 0.79 CTSK (0.55) CTSKCTSSCXCR3CTSLCTSB

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