SCHEMBL29801838

SCHEMBL29801838

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 14/20 0.52
▸ OPRK1 P41145 14/20 0.52
▸ ACE P12821 3/20 0.46
▸ APLNR P35414 1/20 0.45
▸ CXCR4 P61073 1/20 0.44
▸ EPHA2 P29317 1/20 0.43

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
SCHEMBL29801687 0.95 OPRM1 (0.47) OPRM1OPRK1ACE
SCHEMBL29802258 0.93 OPRM1 (0.52) OPRM1OPRK1ACEAPLNRCXCR4
SCHEMBL30905097 0.91 OPRM1 (0.42) OPRM1OPRK1ACEEPHA2
SCHEMBL31265332 0.91 ACE (0.43) OPRM1OPRK1ACEEPHA2
SCHEMBL29802045 0.90 OPRK1 (0.49) OPRM1OPRK1ACEAPLNRCXCR4
SCHEMBL30909428 0.90 OPRK1 (0.53) OPRM1OPRK1APLNRCXCR4
SCHEMBL30909423 0.90 OPRK1 (0.53) OPRM1OPRK1APLNRCXCR4
SCHEMBL30909432 0.90 OPRK1 (0.53) OPRM1OPRK1APLNRCXCR4
SCHEMBL30909420 0.90 OPRK1 (0.53) OPRM1OPRK1APLNRCXCR4
SCHEMBL30909422 0.90 OPRK1 (0.53) OPRM1OPRK1APLNRCXCR4

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-4306534-A1 MULTIFUNCTIONAL POLYPEPTIDE AND APPLICATION THEREOF IN FIELD OF MEDICINES Wuhan Innerse Pharmaceutical Inc. (CN) 2024-01-17 — — EP claimed
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 claimed
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
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