SCHEMBL29793161

SCHEMBL29793161

NCC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 5/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
EPHX2 P34913 1/20 0.34
GRIA1 P42261 2/20 0.33

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
SCHEMBL29793287 1.00 SLC15A2 (0.37) SLC15A2KLKB1KLK1CHRNB2CHRNB4
SCHEMBL29793308 0.96 SLC15A2 (0.35) SLC15A2KLKB1KLK1CHRNB2CHRNB4
SCHEMBL29793306 0.96 SLC15A2 (0.35) SLC15A2KLKB1KLK1CHRNB2CHRNB4
SCHEMBL29793300 0.96 SLC15A2 (0.35) SLC15A2KLKB1KLK1CHRNB2CHRNB4
SCHEMBL30685465 0.96 SLC15A2 (0.35) SLC15A2KLKB1KLK1CHRNB2CHRNB4
SCHEMBL29793019 0.96 ITGB3 (0.36) SLC15A2ITGB3ITGA2BEPHX2
SCHEMBL29793028 0.92 PTGS1 (0.36) KLKB1KLK1CHRNB2CHRNB4CHRNA3
SCHEMBL29793353 0.91 ITGB3 (0.34) SLC15A2ITGB3ITGA2BEPHX2
SCHEMBL29793344 0.90 PTGS1 (0.37) SLC15A2KLKB1KLK1CHRNB2CHRNB4
SCHEMBL29793301 0.89 KLKB1 (0.35) KLKB1KLK1CHRNB2CHRNB4CHRNA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306533-A1 SYNTHETIC PEPTIDE AND APPLICATION THEREOF Wuhan Innerse Pharmaceutical Inc. (CN) 2024-01-17 EP disclosed
US-20240002435-A1 SYNTHETIC PEPTIDE AND APPLICATION THEREOF WUHAN INNERSE PHARMACEUTICAL INC. (CN) 2024-01-04 US disclosed
WO-2022188877-A1 SYNTHETIC PEPTIDE AND APPLICATION THEREOF 武汉英纳氏药业有限公司 2022-09-15 WO disclosed
CN-113150065-B Synthetic peptide and application thereof 武汉英纳氏药业有限公司 2022-07-08 CN disclosed