SCHEMBL29802045

SCHEMBL29802045

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 11/20 0.49
▸ OPRM1 P35372 10/20 0.49
▸ ACE P12821 3/20 0.45
▸ NTSR2 O95665 2/20 0.43
▸ NTSR1 P30989 2/20 0.43
▸ CXCR4 P61073 1/20 0.43
▸ APLNR P35414 1/20 0.43
▸ NRP1 O14786 1/20 0.42

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
SCHEMBL30552516 0.95 ACE (0.49) OPRK1OPRM1ACENTSR2NTSR1
SCHEMBL29801769 0.94 OPRM1 (0.49) OPRK1OPRM1ACECXCR4APLNR
SCHEMBL29802056 0.93 OPRK1 (0.46) OPRK1OPRM1ACE
SCHEMBL30422984 0.93 ACE (0.47) OPRK1OPRM1ACENTSR2NTSR1
SCHEMBL30909432 0.93 OPRK1 (0.53) OPRK1OPRM1CXCR4APLNR
SCHEMBL30909423 0.93 OPRK1 (0.53) OPRK1OPRM1CXCR4APLNR
SCHEMBL30909420 0.93 OPRK1 (0.53) OPRK1OPRM1CXCR4APLNR
SCHEMBL30909428 0.93 OPRK1 (0.53) OPRK1OPRM1CXCR4APLNR
SCHEMBL30909422 0.93 OPRK1 (0.53) OPRK1OPRM1CXCR4APLNR
SCHEMBL29802258 0.92 OPRM1 (0.52) OPRK1OPRM1ACECXCR4APLNR

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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