SCHEMBL12831724

SCHEMBL12831724

CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCC/C=C\[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)N(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
ITGB3 P05106 9/20 0.38
ITGA2B P08514 9/20 0.38
CMA1 P23946 5/20 0.35
CTRC Q99895 2/20 0.35
ACE P12821 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6124837 0.93 F2 (0.40) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL12831733 0.91 F2 (0.38) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL13435877 0.88 F2 (0.43) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL13435882 0.87 F2 (0.40) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL13563948 0.87 ITGB3 (0.40) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL12831734 0.84 DPP4 (0.33) F2
SCHEMBL10166392 0.83 HDAC1 (0.35) F2PRSS1ITGB3ITGA2B
SCHEMBL6385317 0.83 F2 (0.40) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL12831782 0.82 ITGB3 (0.40) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL12831634 0.82 F2 (0.39) F2PRSS1ITGB3ITGA2BCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed