SCHEMBL29802410

SCHEMBL29802410

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.49
NTSR2 O95665 5/20 0.47
NTSR1 P30989 5/20 0.47
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
FAP Q12884 1/20 0.47
NRP1 O14786 1/20 0.46
F2 P00734 1/20 0.46
OPRK1 P41145 1/20 0.45
SORT1 Q99523 3/20 0.44

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
SCHEMBL29802301 0.94 ACE (0.49) ACENTSR2NTSR1NRP1OPRK1
SCHEMBL29802097 0.93 ACE (0.50) ACENTSR2NTSR1OPRK1
SCHEMBL29802185 0.93 ACE (0.50) ACENTSR2NTSR1F2OPRK1
SCHEMBL29802257 0.92 NRP1 (0.53) ACENTSR2NTSR1DPP4DPP8
SCHEMBL31114414 0.91 ACE (0.53) ACENTSR2NTSR1DPP4DPP8
SCHEMBL29802246 0.91 ACE (0.52) ACENTSR2NTSR1OPRK1
SCHEMBL29802004 0.91 ACE (0.52) ACENTSR2NTSR1OPRK1
SCHEMBL31268702 0.91 ACE (0.55) ACEDPP4DPP8DPP9DPP7
SCHEMBL31268656 0.91 ACE (0.55) ACEDPP4DPP8DPP9DPP7
SCHEMBL29802129 0.89 ACE (0.52) ACENTSR2NTSR1OPRK1

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
EP-4306534-A1 MULTIFUNCTIONAL POLYPEPTIDE AND APPLICATION THEREOF IN FIELD OF MEDICINES Wuhan Innerse Pharmaceutical Inc. (CN) 2024-01-17 EP disclosed
WO-2022188878-A1 MULTIFUNCTIONAL POLYPEPTIDE AND APPLICATION THEREOF IN FIELD OF MEDICINES 武汉英纳氏药业有限公司 2022-09-15 WO disclosed