SCHEMBL31506920

SCHEMBL31506920

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.46
▸ MME P08473 3/20 0.46
▸ ANPEP P15144 2/20 0.43
▸ ACE P12821 1/20 0.43
▸ ECE1 P42892 1/20 0.43
▸ BACE1 P56817 3/20 0.42

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
SCHEMBL31274737 0.89 MME (0.50) MMEANPEPACE
SCHEMBL30449279 0.89 BACE1 (0.51) BACE1
SCHEMBL9755288 0.88 BACE1 (0.46) LTA4HBACE1
SCHEMBL9755294 0.88 BACE1 (0.46) LTA4HBACE1
SCHEMBL30533136 0.88 BACE1 (0.58) BACE1
SCHEMBL29961809 0.88 MME (0.45) MMEACE
SCHEMBL29849128 0.86 MME (0.36) LTA4HMMEANPEPACEECE1
SCHEMBL30051314 0.86 LTA4H (0.56) LTA4HMMEANPEPACEECE1
SCHEMBL29531471 0.86 ACE (0.47) MMEANPEPACE
SCHEMBL5598613 0.85 MME (0.46) MMEACE

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
CN-119912520-A Neuropeptide FF receptor peptide ligand, preparation and application thereof 兰州大学 2025-05-02 — — CN claimed
CN-119912520-A Neuropeptide FF receptor peptide ligand, preparation and application thereof 兰州大学 2025-05-02 — — CN disclosed
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