SCHEMBL29793301

SCHEMBL29793301

NCC(=O)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)NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
PTGS1 P23219 1/20 0.34
GSTK1 Q9Y2Q3 1/20 0.34
GRPR P30550 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
GLO1 Q04760 2/20 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
PTPN1 P18031 1/20 0.32
GRIA1 P42261 1/20 0.31

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
SCHEMBL29793276 1.00 KLKB1 (0.35) KLKB1KLK1PTGS1GSTK1GRPR
SCHEMBL29793468 0.99 PTGS1 (0.35) KLKB1KLK1PTGS1GSTK1GRPR
SCHEMBL29793028 0.97 PTGS1 (0.36) KLKB1KLK1PTGS1GSTK1GRPR
SCHEMBL29793344 0.96 PTGS1 (0.37) KLKB1KLK1PTGS1GSTK1GRPR
SCHEMBL30685465 0.93 SLC15A2 (0.35) KLKB1KLK1GRPRCHRNB2CHRNB4
SCHEMBL29793463 0.93 CHRNB2 (0.37) KLKB1KLK1PTGS1GSTK1GRPR
SCHEMBL29793290 0.93 CHRNB2 (0.37) KLKB1KLK1PTGS1GSTK1GRPR
SCHEMBL29793308 0.93 SLC15A2 (0.35) KLKB1KLK1GRPRCHRNB2CHRNB4
SCHEMBL29793303 0.93 CHRNB2 (0.37) KLKB1KLK1PTGS1GSTK1GRPR
SCHEMBL29793306 0.93 SLC15A2 (0.35) KLKB1KLK1GRPRCHRNB2CHRNB4

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 5 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
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
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