SCHEMBL30118985

SCHEMBL30118985

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.48
▸ F2 P00734 1/20 0.46
▸ NPY1R P25929 6/20 0.43
▸ ACE P12821 1/20 0.43
▸ NPY2R P49146 5/20 0.42
▸ NPY4R P50391 5/20 0.42
▸ NPY5R Q15761 5/20 0.42
▸ NMUR2 Q9GZQ4 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42

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
SCHEMBL30974457 0.93 GRB2 (0.52) GRB2F2ACEOPRM1NTSR2
SCHEMBL31741306 0.90 GRB2 (0.49) GRB2NPY1RACENMUR2NTSR2
SCHEMBL29466792 0.89 NPY1R (0.49) NPY1RNPY2RNPY4RNPY5RNTSR2
SCHEMBL30435238 0.89 NPY2R (0.45) GRB2NPY1RNPY2RNPY4RNPY5R
SCHEMBL29933803 0.88 GRB2 (0.48) GRB2F2NPY1RACENPY2R
SCHEMBL29679816 0.87 OPRM1 (0.49) GRB2F2NPY1RACENPY2R
SCHEMBL30658587 0.86 F2 (0.46) GRB2F2NPY1RACENPY2R
SCHEMBL29412990 0.86 F2 (0.56) GRB2F2ACEOPRM1NTSR2
SCHEMBL29413017 0.86 F2 (0.56) GRB2F2ACEOPRM1NTSR2
SCHEMBL5710761 0.86 NPY1R (0.56) NPY1RNPY2RNPY4RNPY5ROPRM1

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 2 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 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
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