SCHEMBL30463402

SCHEMBL30463402

N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.50
▸ REN P00797 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ F2 P00734 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PEPD P12955 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ CAPN1 P07384 3/20 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
SCHEMBL29379676 0.95 ACE (0.54) ACERENKDM4EF2LMNA
SCHEMBL29430534 0.89 ACE (0.48) ACERENKDM4EF2LMNA
SCHEMBL23091321 0.88 ACE (0.47) ACERENKDM4EF2LMNA
SCHEMBL23091320 0.88 ACE (0.47) ACERENKDM4EF2LMNA
SCHEMBL23854819 0.88 ACE (0.47) ACERENKDM4EF2LMNA
SCHEMBL31547785 0.87 ACE (0.53) ACERENKDM4EF2LMNA
SCHEMBL9400887 0.85 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL9400901 0.85 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL30905695 0.84 ACE (0.48) ACERENKDM4EF2LMNA
SCHEMBL29430558 0.84 ACE (0.52) ACERENKDM4EF2LMNA

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
CN-116635050-A Novel triple agonists active on all of glucagon, GLP-1 and GIP receptors and uses thereof 韩美药品株式会社 2023-08-22 — — CN disclosed
CN-116209475-A Therapeutic uses comprising a triple agonist long-acting conjugate or a combination of triple agonists 韩美药品株式会社 2023-06-02 — — CN disclosed
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