SCHEMBL29474443

SCHEMBL29474443

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.47
▸ NTSR1 P30989 6/20 0.46
▸ NTSR2 O95665 5/20 0.46
▸ SORT1 Q99523 3/20 0.46
▸ AGTR1 P30556 1/20 0.43
▸ CALCRL Q16602 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
SCHEMBL30242254 0.90 NPY2R (0.46) XIAPNTSR1NTSR2SORT1AGTR1
SCHEMBL30630163 0.89 NTSR2 (0.52) XIAPNTSR1NTSR2SORT1AGTR1
SCHEMBL30240000 0.84 XIAP (0.61) XIAPNTSR1NTSR2SORT1
SCHEMBL31453289 0.82 SLC6A2 (0.63) NTSR1NTSR2SORT1
SCHEMBL31257010 0.82 XIAP (0.57) XIAPNTSR1NTSR2SORT1
SCHEMBL29612048 0.81 NTSR1 (0.49) XIAPNTSR1NTSR2SORT1
SCHEMBL29608294 0.81 XIAP (0.54) XIAPNTSR1NTSR2SORT1
SCHEMBL30069149 0.81 XIAP (0.63) XIAP
SCHEMBL29933882 0.81 REN (0.56) NTSR1NTSR2SORT1AGTR1CALCRL
SCHEMBL29611519 0.81 NTSR1 (0.51) XIAPNTSR1NTSR2SORT1

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-111961115-B Umami peptide and preparation method and application thereof 宁波大学 2022-03-11 — — CN disclosed
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