SCHEMBL30864211

SCHEMBL30864211

NC(=O)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ KISS1R Q969F8 1/20 0.53
▸ UTS2R Q9UKP6 1/20 0.52

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
SCHEMBL30418018 0.93 OPRM1 (0.59) OPRM1OPRD1KISS1R
SCHEMBL29644347 0.92 OPRM1 (0.62) OPRM1OPRD1
SCHEMBL30288009 0.90 OPRM1 (0.62) OPRM1OPRD1
SCHEMBL30122986 0.89 KISS1R (0.61) OPRM1OPRD1KISS1R
SCHEMBL30287988 0.89 OPRM1 (0.61) OPRM1OPRD1
SCHEMBL7716986 0.88 OPRD1 (0.63) OPRM1OPRD1
SCHEMBL7716988 0.88 OPRD1 (0.63) OPRM1OPRD1
SCHEMBL29828570 0.88 KDM4E (0.59) —
SCHEMBL14274549 0.88 KDM4E (0.59) —
SCHEMBL29828735 0.88 KDM4E (0.59) —

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-117683085-A Cooking wine residue source ACE (angiotensin converting enzyme) inhibitory peptide and preparation method and application thereof 华南农业大学 2024-03-12 — — CN disclosed
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