SCHEMBL31274737

SCHEMBL31274737

CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.50
▸ ACE P12821 6/20 0.49
▸ LNPEP Q9UIQ6 4/20 0.48
▸ ANPEP P15144 3/20 0.48
▸ OPRD1 P41143 4/20 0.47

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
SCHEMBL29531471 0.97 ACE (0.47) MMEACELNPEPANPEPOPRD1
SCHEMBL31415938 0.91 BACE1 (0.51) ACEOPRD1
SCHEMBL29629478 0.91 LNPEP (0.44) MMEACELNPEPANPEPOPRD1
SCHEMBL30449279 0.90 BACE1 (0.51) —
SCHEMBL30670300 0.89 LNPEP (0.54) MMEACELNPEPANPEP
SCHEMBL31506920 0.89 LTA4H (0.46) MMEACEANPEP
SCHEMBL29577267 0.89 MME (0.53) MMEACEOPRD1
SCHEMBL29577963 0.89 MME (0.53) MMEACEOPRD1
SCHEMBL29961809 0.89 MME (0.45) MMEACE
SCHEMBL29615620 0.89 ACE (0.48) MMEACEOPRD1

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
CN-118620029-B Dry-cured ham-derived DPP-IV (dipeptidyl peptidase IV) inhibitory peptide as well as preparation method, identification method and application thereof 合肥工业大学 2024-12-20 — — CN claimed
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