SCHEMBL24579345

SCHEMBL24579345

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.49
▸ ACE2 Q9BYF1 7/20 0.49
▸ CMA1 P23946 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ REN P00797 1/20 0.43

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
SCHEMBL30640786 0.97 ACE (0.52) ACEACE2CMA1LMNA
SCHEMBL24579348 0.97 ACE (0.52) ACEACE2CMA1LMNA
SCHEMBL29696596 0.87 KMT2A (0.43) ACEACE2CMA1REN
SCHEMBL30165170 0.86 ACE (0.54) ACEACE2
SCHEMBL29400819 0.86 KMT2A (0.53) ACEACE2LMNA
SCHEMBL10512329 0.86 KMT2A (0.53) ACEACE2LMNA
SCHEMBL29697676 0.86 ACE (0.58) ACEACE2
SCHEMBL24579222 0.86 ACE (0.58) ACEACE2
SCHEMBL29696658 0.86 ACE (0.58) ACEACE2
SCHEMBL29613906 0.86 ACE (0.58) ACEACE2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — WO disclosed
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