SCHEMBL29619342

SCHEMBL29619342

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 8/20 0.55
NMUR1 Q9HB89 8/20 0.55
F2 P00734 1/20 0.54
EPHA2 P29317 2/20 0.52
OPRM1 P35372 3/20 0.52
OPRD1 P41143 2/20 0.52
BDKRB2 P30411 1/20 0.51
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL31316619 0.94 F2 (0.53) NMUR2NMUR1F2EPHA2OPRM1
SCHEMBL30958041 0.92 F2 (0.60) NMUR2NMUR1F2OPRM1OPRK1
SCHEMBL30233902 0.90 OPRM1 (0.62) NMUR2NMUR1EPHA2OPRM1OPRD1
SCHEMBL30556353 0.90 F2 (0.56) NMUR2NMUR1F2OPRM1MAPK8
SCHEMBL29973451 0.89 NMUR2 (0.60) NMUR2NMUR1OPRM1OPRD1OPRK1
SCHEMBL31473044 0.89 NMUR2 (0.58) NMUR2NMUR1EPHA2OPRM1OPRD1
SCHEMBL29934589 0.89 OPRM1 (0.58) F2EPHA2OPRM1OPRD1OPRK1
SCHEMBL30940242 0.89 NMUR2 (0.55) NMUR2NMUR1F2EPHA2OPRM1
SCHEMBL31289578 0.88 OPRM1 (0.57) NMUR2NMUR1F2EPHA2OPRM1
SCHEMBL30782709 0.88 OPRM1 (0.62) NMUR2NMUR1F2EPHA2OPRM1

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-114835773-A ACE inhibitory peptide and application thereof 浙江海洋大学 2022-08-02 CN disclosed
CN-114835773-A ACE inhibitory peptide and application thereof 浙江海洋大学 2022-08-02 CN disclosed
CN-112521446-B ACE inhibitory peptide and application thereof 浙江海洋大学 2022-06-21 CN disclosed
CN-112521446-B ACE inhibitory peptide and application thereof 浙江海洋大学 2022-06-21 CN disclosed