SCHEMBL30433042

SCHEMBL30433042

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CCNA1 P78396 2/20 0.46
▸ NTSR2 O95665 4/20 0.45
▸ NTSR1 P30989 4/20 0.45
▸ OPRK1 P41145 3/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ SORT1 Q99523 2/20 0.39
▸ CTSD P07339 2/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ F2 P00734 2/20 0.38
▸ SLC15A2 Q16348 1/20 0.37

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
SCHEMBL30433504 0.95 NTSR2 (0.48) CCNA2CDK2CCNA1NTSR2NTSR1
SCHEMBL29937026 0.91 ERAP2 (0.46) NTSR2NTSR1OPRK1NPY1RNPY2R
SCHEMBL30434077 0.91 CTSD (0.42) CCNA2CDK2CCNA1NTSR2NTSR1
SCHEMBL29937022 0.90 ERAP2 (0.47) NTSR2NTSR1OPRK1NPY1RNPY2R
SCHEMBL30906004 0.90 ERAP2 (0.44) NTSR2NTSR1OPRK1NPY1RNPY2R
SCHEMBL29937046 0.90 ERAP2 (0.47) NTSR2NTSR1OPRK1NPY1RNPY2R
SCHEMBL30539513 0.89 BACE1 (0.40) CCNA2CDK2CCNA1NTSR2NTSR1
SCHEMBL10695770 0.89 CCNA2 (0.46) CCNA2CDK2CCNA1
SCHEMBL10695762 0.89 CCNA2 (0.46) CCNA2CDK2CCNA1
SCHEMBL5598772 0.88 ERAP2 (0.48) NTSR2NTSR1OPRK1NPY1RNPY2R

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-116178489-B Antibacterial short peptide and application thereof 青岛大学 2024-05-28 — — CN disclosed
CN-116178489-A Antibacterial short peptide and application thereof 青岛大学 2023-05-30 — — CN disclosed
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