SCHEMBL29793344

SCHEMBL29793344

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
GLO1 Q04760 3/20 0.34
SLC15A2 Q16348 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 5/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
GRPR P30550 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL29793028 0.99 PTGS1 (0.36) PTGS1GSTK1KLKB1KLK1GLO1
SCHEMBL29793468 0.97 PTGS1 (0.35) PTGS1GSTK1KLKB1KLK1GLO1
SCHEMBL29793276 0.96 KLKB1 (0.35) PTGS1GSTK1KLKB1KLK1GLO1
SCHEMBL29793301 0.96 KLKB1 (0.35) PTGS1GSTK1KLKB1KLK1GLO1
SCHEMBL29793274 0.92 CHRNB2 (0.39) PTGS1GSTK1KLKB1KLK1CHRNB2
SCHEMBL29793322 0.92 CHRNB2 (0.39) PTGS1GSTK1KLKB1KLK1CHRNB2
SCHEMBL259178 0.91 SLC15A2 (0.38) PTGS1GSTK1GLO1SLC15A2
SCHEMBL259179 0.91 SLC15A2 (0.38) PTGS1GSTK1GLO1SLC15A2
SCHEMBL29793287 0.90 SLC15A2 (0.37) KLKB1KLK1SLC15A2CHRNB2CHRNB4
SCHEMBL29793161 0.90 SLC15A2 (0.37) KLKB1KLK1SLC15A2CHRNB2CHRNB4

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 7 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 claimed
US-20240002435-A1 SYNTHETIC PEPTIDE AND APPLICATION THEREOF WUHAN INNERSE PHARMACEUTICAL INC. (CN) 2024-01-04 US claimed
WO-2022188877-A1 SYNTHETIC PEPTIDE AND APPLICATION THEREOF 武汉英纳氏药业有限公司 2022-09-15 WO claimed
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