SCHEMBL30010641

SCHEMBL30010641

NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.60
▸ ERAP2 Q6P179 2/20 0.56
▸ ECE1 P42892 4/20 0.56
▸ LTA4H P09960 1/20 0.56
▸ P2RY14 Q15391 1/20 0.56
▸ ALOX15 P16050 1/20 0.55
▸ ITGB2 P05107 1/20 0.54
▸ ICAM1 P05362 1/20 0.54
▸ ITGAL P20701 1/20 0.54

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
SCHEMBL30051742 0.91 ACE (0.68) ACEERAP2ECE1LTA4HP2RY14
SCHEMBL15004694 0.89 ACE (0.62) ACEERAP2ECE1LTA4HALOX15
SCHEMBL30997441 0.89 ACE (0.61) ACEERAP2ECE1ALOX15
SCHEMBL30311059 0.89 ACE (0.64) ACEERAP2ECE1ALOX15
SCHEMBL8846626 0.89 ACE (0.56) ACEERAP2ECE1LTA4HALOX15
SCHEMBL15005417 0.89 ACE (0.61) ACEERAP2ECE1LTA4HALOX15
Urea SCHEMBL2597752 0.88 ERAP2 (0.65) ACEERAP2P2RY14ALOX15ITGB2
Urea SCHEMBL2597753 0.88 ERAP2 (0.65) ACEERAP2P2RY14ALOX15ITGB2
SCHEMBL1407979 0.88 ALOX15 (0.68) ACEERAP2P2RY14ALOX15ITGB2
SCHEMBL1407978 0.88 ALOX15 (0.68) ACEERAP2P2RY14ALOX15ITGB2

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-3720873-B1 GLUCAGON-LIKE PEPTIDES IP2IPO INNOVATIONS LTD (GB) 2024-12-04 — — EP disclosed
EP-4341272-A1 METHOD FOR PREPARING A LIBRARY OF PEPTIDES OR A PEPTIDE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2024-03-27 — — EP disclosed
WO-2022242993-A1 METHOD FOR PREPARING A LIBRARY OF PEPTIDES OR A PEPTIDE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2022-11-24 — — WO disclosed
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