SCHEMBL30291168

SCHEMBL30291168

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.54
▸ ACE P12821 4/20 0.52
▸ CCKAR P32238 1/20 0.52
▸ CCKBR P32239 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ LTA4H P09960 1/20 0.52
▸ ECE1 P42892 1/20 0.52
▸ P2RY14 Q15391 1/20 0.52
▸ ALOX15 P16050 1/20 0.51
▸ ITGB2 P05107 2/20 0.50
▸ ICAM1 P05362 2/20 0.50
▸ ITGAL P20701 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TP53 P04637 1/20 0.49

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
SCHEMBL29886730 0.98 ERAP2 (0.54) ERAP2ACECCKARCCKBROPRD1
SCHEMBL29886823 0.89 ERAP2 (0.58) ERAP2ACEOPRD1LTA4HECE1
SCHEMBL15757296 0.87 ERAP2 (0.62) ERAP2ACEP2RY14ALOX15ITGB2
SCHEMBL15757291 0.87 ERAP2 (0.62) ERAP2ACEP2RY14ALOX15ITGB2
SCHEMBL29352080 0.87 ERAP2 (0.62) ERAP2ACEP2RY14ALOX15ITGB2
SCHEMBL29366904 0.87 ERAP2 (0.60) ERAP2ACEOPRD1LTA4HECE1
SCHEMBL31593293 0.86 ACE (0.53) ACECCKARCCKBROPRD1LTA4H
SCHEMBL30358212 0.86 ACE (0.54) ERAP2ACEOPRD1P2RY14ALOX15
SCHEMBL30503004 0.85 LTA4H (0.60) ACECCKARCCKBROPRD1LTA4H
SCHEMBL24933037 0.84 CTSL (0.57) ACEOPRD1

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-4355367-A1 SELF-ASSEMBLING NANOPARTICLES BASED ON AMPHIPHILIC PEPTIDES FOR DRUG DELIVERY APPLICATIONS Barinthus Biotherapeutics North America, Inc. (US) 2024-04-24 — — EP disclosed
WO-2022266340-A1 SELF-ASSEMBLING NANOPARTICLES BASED ON AMPHIPHILIC PEPTIDES FOR DRUG DELIVERY APPLICATIONS VACCITECH NORTH AMERICA, INC. (US) 2022-12-22 — — WO disclosed
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