SCHEMBL30006221

SCHEMBL30006221

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.40
▸ BACE1 P56817 2/20 0.38
▸ GLP1R P43220 4/20 0.38
▸ ENPEP Q07075 4/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ KISS1R Q969F8 2/20 0.36
▸ GRB2 P62993 1/20 0.35
▸ CTSD P07339 1/20 0.35

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
SCHEMBL29590364 0.93 OPRM1 (0.39) MAGI3BACE1GLP1ROPRM1OPRD1
SCHEMBL30607295 0.91 OPRD1 (0.37) BACE1GLP1ROPRM1OPRD1KISS1R
SCHEMBL31357356 0.91 OPRM1 (0.36) BACE1OPRM1OPRD1KISS1R
SCHEMBL29980611 0.87 OPRM1 (0.36) BACE1GLP1RENPEPOPRM1OPRD1
SCHEMBL31514360 0.87 PDCD1LG2 (0.37) MAGI3BACE1OPRM1OPRD1
SCHEMBL30536718 0.87 ENPEP (0.39) ENPEP
SCHEMBL30254475 0.87 OPRM1 (0.39) MAGI3BACE1OPRM1OPRD1
SCHEMBL30974040 0.87 OPRM1 (0.42) OPRM1OPRD1
SCHEMBL31391114 0.87 SLC6A2 (0.36) BACE1OPRM1OPRD1
SCHEMBL30087273 0.85 ENPEP (0.38) MAGI3ENPEP

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-113151386-B Oyster peptide with DPP-IV (dipeptidyl peptidase-IV) inhibition function and preparation method and application thereof 安徽国肽生物科技有限公司 2022-08-16 — — CN disclosed
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