SCHEMBL29419673

SCHEMBL29419673

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.45
▸ OPRM1 P35372 9/20 0.45
▸ C5AR1 P21730 2/20 0.45
▸ OPRK1 P41145 2/20 0.43
▸ CALCR P30988 4/20 0.43

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
SCHEMBL30974282 0.89 OPRD1 (0.46) OPRD1OPRM1C5AR1CALCR
SCHEMBL8954002 0.86 C5AR1 (0.47) OPRD1OPRM1C5AR1OPRK1
SCHEMBL30974069 0.85 OPRD1 (0.51) OPRD1CALCR
SCHEMBL9389401 0.84 C5AR1 (0.48) OPRD1OPRM1C5AR1
SCHEMBL8432592 0.84 C5AR1 (0.48) OPRD1OPRM1C5AR1
SCHEMBL9642284 0.84 C5AR1 (0.48) OPRD1OPRM1C5AR1
SCHEMBL9749653 0.84 C5AR1 (0.48) OPRD1OPRM1C5AR1
SCHEMBL29961451 0.84 ERAP2 (0.47) OPRD1OPRM1OPRK1
SCHEMBL29812352 0.84 MMP2 (0.46) —
SCHEMBL30974499 0.84 GLP1R (0.49) OPRD1CALCR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149490-B Preparation method and application of tuna antioxidant peptide for inhibiting myeloperoxidase MPO 中国科学院南海海洋研究所 2023-10-27 — — CN disclosed
CN-114149490-B Preparation method and application of tuna antioxidant peptide for inhibiting myeloperoxidase MPO 中国科学院南海海洋研究所 2023-10-27 — — CN disclosed
CN-114149490-A Preparation method and application of tuna antioxidant peptide for inhibiting myeloperoxidase MPO 中国科学院南海海洋研究所 2022-03-08 — — CN disclosed
CN-114149490-A Preparation method and application of tuna antioxidant peptide for inhibiting myeloperoxidase MPO 中国科学院南海海洋研究所 2022-03-08 — — CN disclosed
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