SCHEMBL31107068

SCHEMBL31107068

CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.48
▸ C5AR1 P21730 2/20 0.48
▸ SLC6A2 P23975 1/20 0.47
▸ CALCRL Q16602 2/20 0.47
▸ ACE P12821 5/20 0.46
▸ ACE2 Q9BYF1 4/20 0.46
▸ APLNR P35414 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ AGTR1 P30556 1/20 0.44
▸ AGTR2 P50052 1/20 0.44
▸ OPRK1 P41145 1/20 0.44

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
SCHEMBL30518955 0.92 REN (0.46) RENC5AR1CALCRLACEACE2
SCHEMBL29701316 0.90 ACE (0.49) SLC6A2ACEACE2OPRM1OPRD1
SCHEMBL30338091 0.90 ACE (0.50) ACEACE2
SCHEMBL30383148 0.90 OPRM1 (0.53) SLC6A2OPRM1OPRD1
SCHEMBL29666757 0.89 ACE (0.50) ACEACE2
SCHEMBL31384593 0.87 OPRK1 (0.56) RENSLC6A2ACEACE2OPRK1
SCHEMBL31031547 0.85 ACE (0.56) RENSLC6A2CALCRLACEACE2
SCHEMBL30661455 0.85 SLC6A2 (0.54) SLC6A2CALCRLACEACE2OPRM1
SCHEMBL29555036 0.85 ACE (0.41) RENACEACE2APLNROPRK1
SCHEMBL29448041 0.85 SLC6A2 (0.65) RENC5AR1SLC6A2OPRM1OPRD1

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-118702771-A Natural active peptide with antioxidant activity 河南省人民医院 2024-09-27 — — CN disclosed
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