SCHEMBL29802182

SCHEMBL29802182

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.44
OPRK1 P41145 13/20 0.44
EPHA2 P29317 2/20 0.42
NMUR2 Q9GZQ4 2/20 0.41
NMUR1 Q9HB89 2/20 0.41
ACE P12821 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL1552453 0.92 OPRM1 (0.43) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL1552457 0.92 OPRM1 (0.43) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL31511421 0.92 OPRM1 (0.42) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL29723642 0.90 OPRM1 (0.51) OPRM1OPRK1EPHA2
SCHEMBL31603941 0.89 APLNR (0.45) OPRM1OPRK1NMUR2NMUR1
SCHEMBL29802094 0.89 OPRM1 (0.45) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL21027181 0.89 NRP1 (0.45) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL11231534 0.88 OPRM1 (0.46) OPRM1OPRK1NMUR2NMUR1ACE
SCHEMBL11231542 0.88 OPRM1 (0.46) OPRM1OPRK1NMUR2NMUR1ACE
SCHEMBL21026612 0.88 F2 (0.41) OPRM1OPRK1EPHA2NMUR2NMUR1

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