SCHEMBL30630163

SCHEMBL30630163

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 12/20 0.52
▸ NTSR1 P30989 12/20 0.52
▸ SORT1 Q99523 8/20 0.52
▸ AGTR1 P30556 1/20 0.48
▸ SLC6A2 P23975 1/20 0.45
▸ XIAP P98170 1/20 0.45

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
SCHEMBL29474443 0.89 XIAP (0.47) NTSR2NTSR1SORT1AGTR1XIAP
SCHEMBL38660301 0.85 NTSR2 (0.54) NTSR2NTSR1SORT1
SCHEMBL30512533 0.85 NTSR1 (0.52) NTSR2NTSR1SORT1
SCHEMBL38658470 0.85 NTSR2 (0.46) NTSR2NTSR1SORT1AGTR1XIAP
SCHEMBL30512495 0.85 NTSR1 (0.55) NTSR2NTSR1SORT1
SCHEMBL30577825 0.85 NTSR2 (0.53) NTSR2NTSR1SORT1
SCHEMBL30242254 0.84 NPY2R (0.46) NTSR2NTSR1SORT1AGTR1XIAP
SCHEMBL29823022 0.84 NTSR1 (0.51) NTSR2NTSR1SORT1SLC6A2
SCHEMBL38658921 0.84 NTSR2 (0.46) NTSR2NTSR1SORT1AGTR1XIAP
SCHEMBL29802226 0.83 NTSR2 (0.47) NTSR2NTSR1SORT1

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-116930369-A Method for analysis of milk proteolytic polypeptides 黑龙江飞鹤乳业有限公司 2023-10-24 — — CN disclosed
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