SCHEMBL7331682

SCHEMBL7331682

CC(C)CC(N)C(=O)N(C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.31
CTSE P14091 1/20 0.31
BACE1 P56817 1/20 0.31
PSMB11 A5LHX3 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMB1 P20618 1/20 0.31
PSMA1 P25786 1/20 0.31
PSMA2 P25787 1/20 0.31
PSMA3 P25788 1/20 0.31
PSMA4 P25789 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB9 P28065 1/20 0.31
PSMA5 P28066 1/20 0.31
PSMB4 P28070 1/20 0.31
PSMB6 P28072 1/20 0.31
PSMB5 P28074 1/20 0.31
LONP1 P36776 1/20 0.31
PSMB10 P40306 1/20 0.31
PSMB3 P49720 1/20 0.31
PSMB2 P49721 1/20 0.31

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
SCHEMBL28101256 0.85 ANPEP (0.33) AAK1
SCHEMBL3750901 0.78 ANPEP (0.31)
SCHEMBL7163147 0.77 BACE1 (0.42) CTSDBACE1
SCHEMBL7163139 0.77 BACE1 (0.42) CTSDBACE1
SCHEMBL28101251 0.75 BACE1 (0.42) CTSDBACE1
SCHEMBL29532207 0.74 MME (0.41)
SCHEMBL5598780 0.74 CPB2 (0.34)
SCHEMBL9561398 0.74 ANPEP (0.31)
SCHEMBL5526723 0.74 OPRM1 (0.42) CTSDBACE1
SCHEMBL4935995 0.74 OPRM1 (0.42) CTSDBACE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298621-A Peptides endcapped with purine derivative SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1994-03-29 US disclosed
US-5298621-A Peptides endcapped with purine derivative SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1994-03-29 US disclosed
EP-0464009-A2 Oligopeptide derivatives of ipoxantine endowed with immunomodulating activity and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-01-02 EP disclosed
EP-0464009-A2 Oligopeptide derivatives of ipoxantine endowed with immunomodulating activity and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-01-02 EP disclosed