SCHEMBL29802056

SCHEMBL29802056

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 10/20 0.46
▸ OPRM1 P35372 9/20 0.46
▸ ACE P12821 3/20 0.46
▸ NPY4R P50391 3/20 0.42
▸ NPY1R P25929 2/20 0.42
▸ NPY2R P49146 2/20 0.42
▸ NPY5R Q15761 2/20 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
SCHEMBL29801935 0.95 OPRK1 (0.44) OPRK1OPRM1ACE
SCHEMBL31039948 0.94 CXCR4 (0.47) OPRK1OPRM1ACE
SCHEMBL29801999 0.94 OPRM1 (0.48) OPRK1OPRM1ACE
SCHEMBL29802045 0.93 OPRK1 (0.49) OPRK1OPRM1ACE
SCHEMBL30422984 0.93 ACE (0.47) OPRK1OPRM1ACENPY4RNPY1R
SCHEMBL30173901 0.92 ACE (0.44) OPRK1OPRM1ACENPY4RNPY1R
SCHEMBL29801687 0.92 OPRM1 (0.47) OPRK1OPRM1ACE
SCHEMBL30552516 0.91 ACE (0.49) OPRK1OPRM1ACE
SCHEMBL29802076 0.91 ACE (0.51) OPRK1ACE
SCHEMBL30471842 0.91 ACE (0.41) OPRK1OPRM1ACENPY4RNPY1R

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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