SCHEMBL30168671

SCHEMBL30168671

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.52
▸ MME P08473 1/20 0.52
▸ CPA1 P15085 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ OPRD1 P41143 2/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ KISS1R Q969F8 2/20 0.47
▸ CTSD P07339 1/20 0.45
▸ ENPEP Q07075 1/20 0.45

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
SCHEMBL29804796 0.94 ACE (0.50) ACEMMECPA1ACE2OPRD1
SCHEMBL8823292 0.91 KISS1R (0.54) ACEOPRD1OPRM1KISS1R
SCHEMBL8823293 0.91 KISS1R (0.54) ACEOPRD1OPRM1KISS1R
SCHEMBL31318683 0.91 ACE (0.57) ACEMMECPA1ACE2OPRD1
SCHEMBL29804710 0.91 ACE (0.54) ACEMMECPA1ACE2OPRD1
SCHEMBL29804901 0.90 KISS1R (0.57) OPRD1OPRM1KISS1RCTSD
SCHEMBL31326113 0.89 KISS1R (0.54) ACEMMECPA1ACE2OPRD1
SCHEMBL30638818 0.89 ACE (0.55) ACEMMECPA1ACE2OPRD1
SCHEMBL30350510 0.89 ACE (0.48) ACEMMECPA1ACE2OPRD1
SCHEMBL29822653 0.88 ACE (0.59) ACEMMECPA1ACE2OPRD1

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
EP-4126921-A2 QD DOSING OF GIP RECEPTOR AGONIST PEPTIDE COMPOUNDS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2023-02-08 — — EP claimed
EP-4126920-A2 GIF RECEPTOR AGONIST PEPTIDE COMPOUNDS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2023-02-08 — — EP disclosed
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