SCHEMBL30977978

SCHEMBL30977978

C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.55
▸ MMP2 P08253 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.53
▸ LNPEP Q9UIQ6 1/20 0.53
▸ GNPAT O15228 1/20 0.51
▸ CPA1 P15085 1/20 0.51
▸ CPA2 P48052 1/20 0.51
▸ CPA4 Q9UI42 1/20 0.51
▸ REN P00797 1/20 0.49
▸ LTA4H P09960 1/20 0.49

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
SCHEMBL29868240 0.98 OPRK1 (0.58) OPRK1MMP2ERAP2LNPEPGNPAT
SCHEMBL30497071 0.91 GNPAT (0.58) OPRK1ERAP2LNPEPGNPAT
SCHEMBL30407529 0.91 OPRK1 (0.56) OPRK1ERAP2LNPEPGNPAT
SCHEMBL29531489 0.91 LNPEP (0.55) OPRK1ERAP2LNPEP
SCHEMBL8908390 0.91 LNPEP (0.55) OPRK1ERAP2LNPEP
SCHEMBL31528348 0.91 ERAP2 (0.58) OPRK1MMP2ERAP2LNPEPGNPAT
SCHEMBL29350734 0.91 ERAP2 (0.58) OPRK1MMP2ERAP2LNPEPGNPAT
SCHEMBL29630365 0.90 ERAP2 (0.62) OPRK1MMP2ERAP2LNPEPGNPAT
SCHEMBL7120877 0.90 ERAP2 (0.62) OPRK1MMP2ERAP2LNPEPGNPAT
SCHEMBL31181266 0.90 GNPAT (0.59) OPRK1ERAP2LNPEPGNPAT

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-115109117-B Multifucus phycoerythrin angiotensin converting enzyme inhibitory peptide and preparation method and application thereof 齐鲁工业大学 2024-08-16 — — CN claimed
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