SCHEMBL30411231

SCHEMBL30411231

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

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.73
▸ MME P08473 11/20 0.73
▸ CPA1 P15085 6/20 0.73
▸ ACE2 Q9BYF1 6/20 0.73
▸ FOLH1 Q04609 1/20 0.56

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
SCHEMBL31202567 1.00 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL4261778 1.00 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL29669675 1.00 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL7685718 1.00 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL4261774 1.00 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL7128864 1.00 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL29822555 0.97 ACE (0.70) ACEMMECPA1ACE2FOLH1
SCHEMBL31089980 0.95 ACE (0.67) ACEMMECPA1ACE2FOLH1
SCHEMBL30895730 0.94 ACE (0.65) ACEMMECPA1ACE2FOLH1
SCHEMBL7678279 0.94 ACE (0.65) ACEMMECPA1ACE2FOLH1

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
EP-4192843-A1 PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF Ospedale Pediatrico Bambino Gesù (IT) 2023-06-14 — — EP claimed
CN-111393508-B Preparation method of atosiban 上海苏豪逸明制药有限公司 2023-05-12 — — CN claimed
EP-4192843-A1 PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF Ospedale Pediatrico Bambino Gesù (IT) 2023-06-14 — — EP disclosed
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