SCHEMBL30366623

SCHEMBL30366623

N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.48
▸ ACE2 Q9BYF1 8/20 0.48
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ CALCRL Q16602 2/20 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
SCHEMBL30366772 0.92 MC4R (0.47) ACEACE2OPRM1OPRD1CALCRL
SCHEMBL30338091 0.92 ACE (0.50) ACEACE2
SCHEMBL29701316 0.91 ACE (0.49) ACEACE2OPRM1OPRD1
SCHEMBL31437181 0.90 MC4R (0.51) OPRM1OPRD1
SCHEMBL29666757 0.88 ACE (0.50) ACEACE2
SCHEMBL38652354 0.88 SLC6A2 (0.55) OPRM1OPRD1
SCHEMBL7200318 0.87 CTSL (0.49) OPRM1OPRD1CALCRL
SCHEMBL7200319 0.87 CTSL (0.49) OPRM1OPRD1CALCRL
SCHEMBL29666708 0.85 OPRK1 (0.47) ACEACE2OPRM1OPRD1
SCHEMBL29630670 0.85 TRHR (0.42) ACEACE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118831167-A Medicine for treating cerebrovascular diseases and immune system disorders, and preparation method and application thereof 韦尔塔有限公司 2024-10-25 — — CN disclosed
EP-4404912-A1 ADRENOCORTICOTROPIC HORMONE PEPTIDE COMPOSITIONS AND METHODS OF USE Ferring B.V. (NL) 2024-07-31 — — EP disclosed
WO-2023046336-A1 ADRENOCORTICOTROPIC HORMONE PEPTIDE COMPOSITIONS AND METHODS OF USE FERRING B.V. (NL) 2023-03-30 — — WO disclosed
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