SCHEMBL29466786

SCHEMBL29466786

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ OPRM1 P35372 6/20 0.46
▸ OPRK1 P41145 6/20 0.46
▸ NMUR2 Q9GZQ4 3/20 0.46
▸ NMUR1 Q9HB89 3/20 0.46
▸ EPHA2 P29317 3/20 0.44
▸ RAMP3 O60896 3/20 0.43
▸ CALCR P30988 3/20 0.43
▸ F2R P25116 2/20 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
SCHEMBL30118984 0.88 OPRK1 (0.47) OPRM1OPRK1EPHA2
SCHEMBL5313745 0.88 PLK1 (0.47) NMUR2NMUR1EPHA2RAMP3CALCR
SCHEMBL5313754 0.88 PLK1 (0.47) NMUR2NMUR1EPHA2RAMP3CALCR
SCHEMBL30009447 0.88 NMUR2 (0.52) MAPK8MAPK9MAPK10OPRM1OPRK1
SCHEMBL31481586 0.88 OPRK1 (0.47) OPRM1OPRK1NMUR2NMUR1
SCHEMBL31416061 0.86 RAMP3 (0.51) MAPK8MAPK9MAPK10OPRM1OPRK1
SCHEMBL31344445 0.86 KEAP1 (0.51) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL29801769 0.86 OPRM1 (0.49) OPRM1OPRK1
SCHEMBL31416058 0.85 RAMP3 (0.52) MAPK8MAPK9MAPK10OPRM1OPRK1
SCHEMBL11101528 0.85 OPRK1 (0.48) OPRM1OPRK1NMUR2NMUR1RAMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN claimed
CN-114246342-A High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-03-29 — — CN claimed
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN disclosed
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN disclosed
CN-114246342-A High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-03-29 — — CN disclosed
CN-114246342-A High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-03-29 — — CN disclosed
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