SCHEMBL30389216

SCHEMBL30389216

CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.60
▸ NTSR1 P30989 9/20 0.55
▸ NTSR2 O95665 7/20 0.55
▸ SORT1 Q99523 6/20 0.55
▸ SLC6A2 P23975 1/20 0.54
▸ NPY4R P50391 4/20 0.54
▸ NPY1R P25929 2/20 0.54
▸ NPY2R P49146 2/20 0.54
▸ NPY5R Q15761 2/20 0.54
▸ NMUR2 Q9GZQ4 1/20 0.53
▸ NMUR1 Q9HB89 1/20 0.53

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
SCHEMBL30498506 0.89 EPHA2 (0.58) EPHA2NTSR1NTSR2SORT1SLC6A2
SCHEMBL8876493 0.89 NPY4R (0.60) NTSR1NTSR2SORT1NPY4RNPY1R
SCHEMBL29770298 0.89 NPY4R (0.57) EPHA2NTSR1NTSR2SORT1NPY4R
SCHEMBL10592955 0.89 NTSR2 (0.64) NTSR1NTSR2SORT1NPY4RNPY1R
SCHEMBL30436277 0.88 NTSR1 (0.60) NTSR1NTSR2SORT1NPY4RNPY1R
SCHEMBL29379857 0.87 SLC6A2 (0.60) EPHA2NTSR1NTSR2SORT1SLC6A2
SCHEMBL30320529 0.87 KDM1A (0.57) EPHA2NTSR1NTSR2SORT1NPY4R
SCHEMBL30360392 0.87 NTSR2 (0.73) NTSR1NTSR2SORT1
SCHEMBL29450645 0.87 EPHA2 (0.57) EPHA2NMUR2NMUR1
SCHEMBL30689267 0.86 OPRK1 (0.59) NPY4RNPY1RNPY2RNPY5RNMUR2

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-116041428-B Two ACE (angiotensin converting enzyme) inhibitory peptides as well as preparation method and application thereof 中国农业大学 2024-06-07 — — CN disclosed
CN-116041428-A Two ACE (angiotensin converting enzyme) inhibitory peptides as well as preparation method and application thereof 中国农业大学 2023-05-02 — — CN disclosed
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