SCHEMBL31612359

SCHEMBL31612359

CSCC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.56
▸ OPRD1 P41143 4/20 0.56
▸ ACE P12821 6/20 0.49
▸ ACE2 Q9BYF1 4/20 0.49
▸ BDKRB2 P30411 1/20 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
SCHEMBL31612385 0.97 OPRM1 (0.61) OPRM1OPRD1BDKRB2
SCHEMBL31596986 0.93 OPRM1 (0.64) OPRM1OPRD1BDKRB2
SCHEMBL31596868 0.93 OPRM1 (0.64) OPRM1OPRD1BDKRB2
Hydrochloric Acid SCHEMBL11059956 0.88 OPRD1 (0.64) OPRM1OPRD1
SCHEMBL30401696 0.85 BDKRB2 (0.58) OPRM1OPRD1BDKRB2
SCHEMBL30051262 0.85 ACE (0.55) ACEACE2
SCHEMBL29797079 0.84 OPRD1 (0.53) OPRM1OPRD1
SCHEMBL30407343 0.84 OPRD1 (0.55) OPRM1OPRD1ACEACE2
SCHEMBL11065220 0.84 OPRM1 (0.66) OPRM1OPRD1
SCHEMBL30051490 0.83 ACE (0.55) ACEACE2

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-120118150-A Grape seed protein peptide with ACE (angiotensin converting enzyme) inhibitory activity and preparation method thereof 江南大学 2025-06-10 — — CN disclosed
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