SCHEMBL30863485

SCHEMBL30863485

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N(C)C)N(C)C(=O)[C@H](C1CCCC1)N(C)C(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2cc(F)c(C(F)(F)F)c(F)c2)NC(=O)OCc2ccccc2)CCCC1)C(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSD P07339 9/20 0.36
CTSE P14091 9/20 0.36
BACE1 P56817 8/20 0.36
REN P00797 6/20 0.33
MALT1 Q9UDY8 1/20 0.32
CMA1 P23946 1/20 0.32

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
SCHEMBL30863398 0.96 CTSD (0.36) CTSDCTSEBACE1RENMALT1
SCHEMBL30863387 0.92 CTSD (0.35) CTSDCTSEBACE1REN
SCHEMBL30863375 0.91 CTSD (0.32) CTSDCTSEBACE1
SCHEMBL24822345 0.90 CTSD (0.32) CTSDCTSEBACE1
SCHEMBL31622760 0.90 CTSD (0.34) CTSDCTSEBACE1REN
SCHEMBL24822325 0.90 CTSD (0.34) CTSDCTSEBACE1RENCMA1
SCHEMBL24822321 0.90 CTSD (0.34) CTSDCTSEBACE1RENCMA1
SCHEMBL24822292 0.90 CTSD (0.34) CTSDCTSEBACE1RENCMA1
SCHEMBL31622749 0.89 CTSD (0.35) CTSDCTSEBACE1
SCHEMBL24734365 0.89 CTSD (0.34) CTSDCTSEBACE1REN

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-4570813-A1 METHOD FOR PRODUCING N-SUBSTITUTED AMINO ACID RESIDUE-CONTAINING CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-06-18 EP disclosed
WO-2024080333-A1 METHOD FOR PRODUCING N-SUBSTITUTED AMINO ACID RESIDUE-CONTAINING CYCLIC PEPTIDE COMPOUND 中外製薬株式会社 2024-04-18 WO disclosed