SCHEMBL12831720

SCHEMBL12831720

CC1(S(=O)(=O)NC(=O)[C@H]2C[C@H]2/C=C\CCCCC[C@H](Nc2ccccc2)C(=O)N2CCC[C@H]2C(N)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.37
F2 P00734 3/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
OPRM1 P35372 1/20 0.35
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
LNPEP Q9UIQ6 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
SCHEMBL13071914 0.94 F2 (0.33) ACEF2PRSS1PRSS2PRSS3
SCHEMBL13071629 0.93 ALDH1A1 (0.36) ACEF2PRSS1PRSS2PRSS3
SCHEMBL12831737 0.93 F2 (0.34) ACEF2PRSS1PRSS2PRSS3
SCHEMBL13071403 0.92 USP2 (0.34) ACEF2PRSS1PRSS2PRSS3
SCHEMBL13071626 0.91 DPP4 (0.36) ACEF2PRSS1PRSS2PRSS3
SCHEMBL13071522 0.91 L3MBTL1 (0.36) F2PRSS1PRSS2PRSS3
SCHEMBL12831783 0.91 F2R (0.34) ACEF2PRSS1PRSS2PRSS3
SCHEMBL13072075 0.90 XIAP (0.31) F2OPRM1
SCHEMBL13071885 0.90 XIAP (0.35) F2
SCHEMBL13071422 0.90 F2 (0.34) ACEF2PRSS1PRSS2PRSS3

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