SCHEMBL7387724

SCHEMBL7387724

CC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)[C@@H](C)CC)C(=O)C(=O)NCc1nn[nH]n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 5/20 0.52
PSMB11 A5LHX3 2/20 0.52
PSMA7 O14818 2/20 0.52
PSMB1 P20618 2/20 0.52
PSMA1 P25786 2/20 0.52
PSMA2 P25787 2/20 0.52
PSMA3 P25788 2/20 0.52
PSMA4 P25789 2/20 0.52
PSMB8 P28062 2/20 0.52
PSMB9 P28065 2/20 0.52
PSMA5 P28066 2/20 0.52
PSMB4 P28070 2/20 0.52
PSMB6 P28072 2/20 0.52
PSMB5 P28074 2/20 0.52
PSMB10 P40306 2/20 0.52
PSMB3 P49720 2/20 0.52
PSMB2 P49721 2/20 0.52
PSMA6 P60900 2/20 0.52
PSMA8 Q8TAA3 2/20 0.52
PSMB7 Q99436 2/20 0.52

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
SCHEMBL6846065 0.95 LONP1 (0.49) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6846066 0.95 LONP1 (0.49) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6850803 0.94 LONP1 (0.48) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6850796 0.94 LONP1 (0.48) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6848769 0.87 LONP1 (0.54) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6850382 0.86 LONP1 (0.57) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6850311 0.86 LONP1 (0.56) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6848918 0.86 LONP1 (0.56) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL6848816 0.86 LONP1 (0.56) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL7640537 0.86 LONP1 (0.46) LONP1PSMB11PSMA7PSMB1PSMA1

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
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP claimed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO claimed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed