SCHEMBL12831783

SCHEMBL12831783

CC1(S(=O)(=O)NC(=O)[C@H]2C[C@H]2/C=C\CCCCC[C@H](Nc2ccc(F)c(F)c2)C(=O)N2CCC[C@H]2C(N)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.34
ACE P12821 1/20 0.32
F2 P00734 3/20 0.32
PRSS1 P07477 3/20 0.32
PRSS2 P07478 3/20 0.32
PRSS3 P35030 3/20 0.32
NTSR2 O95665 3/20 0.32
NTSR1 P30989 3/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
OPRM1 P35372 1/20 0.31
XIAP P98170 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
SCHEMBL13071403 0.92 USP2 (0.34) F2RACEF2PRSS1PRSS2
SCHEMBL13071914 0.91 F2 (0.33) ACEF2PRSS1PRSS2PRSS3
SCHEMBL13071629 0.91 ALDH1A1 (0.36) ACEF2PRSS1PRSS2PRSS3
SCHEMBL13072075 0.91 XIAP (0.31) F2OPRM1XIAP
SCHEMBL12831720 0.91 ACE (0.37) ACEF2PRSS1PRSS2PRSS3
SCHEMBL13071626 0.90 DPP4 (0.36) ACEF2PRSS1PRSS2PRSS3
SCHEMBL13071885 0.89 XIAP (0.35) F2XIAP
SCHEMBL13071522 0.89 L3MBTL1 (0.36) F2PRSS1PRSS2PRSS3
SCHEMBL13071408 0.88 XIAP (0.33) F2RXIAP
SCHEMBL13071525 0.88 CFD (0.37)

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
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed