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SCHEMBL31472853

SCHEMBL31472853

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 4/20 0.47
▸ NPY1R P25929 3/20 0.47
▸ NPY2R P49146 3/20 0.47
▸ BACE1 P56817 9/20 0.44
▸ BACE2 Q9Y5Z0 2/20 0.44
▸ CTSD P07339 1/20 0.44
▸ ERAP2 Q6P179 1/20 0.42
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ NPY5R Q15761 2/20 0.40
▸ MDM4 O15151 1/20 0.39
▸ MDM2 Q00987 1/20 0.39

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
SCHEMBL30637762 0.95 NPY4R (0.45) NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL30462069 0.94 EGFR (0.46) NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL31472847 0.94 ERAP2 (0.43) NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL31472846 0.94 ERAP2 (0.43) NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL31190268 0.94 NPY1R (0.44) NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL30781079 0.93 FOLH1 (0.44) NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL30645270 0.91 NPY4R (0.47) NPY4RNPY1RNPY2RERAP2NTSR2
SCHEMBL30645273 0.91 NPY4R (0.47) NPY4RNPY1RNPY2RERAP2NTSR2
SCHEMBL29530852 0.91 ERAP2 (0.47) NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL29530854 0.91 ERAP2 (0.47) NPY4RNPY1RNPY2RBACE1BACE2

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-119775362-A High-efficiency low-toxicity anticancer short peptide using caproic acid lysine as modification unit and application thereof 兰州大学 2025-04-08 — — CN claimed
CN-119775362-A High-efficiency low-toxicity anticancer short peptide using caproic acid lysine as modification unit and application thereof 兰州大学 2025-04-08 — — CN disclosed
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