SCHEMBL12831740

SCHEMBL12831740

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
DPP4 P27487 4/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 3/20 0.32
DPP7 Q9UHL4 3/20 0.32
FAP Q12884 2/20 0.32
NTSR2 O95665 1/20 0.30
NTSR1 P30989 1/20 0.30
SORT1 Q99523 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30
LNPEP Q9UIQ6 1/20 0.30

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
SCHEMBL13071461 0.88 DPP4 (0.31) DPP4DPP8DPP9
SCHEMBL13071454 0.87 DPP4 (0.33) OPRM1DPP4DPP8DPP9DPP7
SCHEMBL12831634 0.85 F2 (0.39)
SCHEMBL10166386 0.85 HDAC4 (0.31) NTSR2NTSR1
SCHEMBL12831720 0.85 ACE (0.37) OPRM1ERAP2ERAP1LNPEP
SCHEMBL13071914 0.85 F2 (0.33) OPRM1
SCHEMBL13071462 0.84
SCHEMBL13072075 0.84 XIAP (0.31) OPRM1
SCHEMBL6124830 0.84 DPP4 (0.31) DPP4
SCHEMBL13071629 0.83 ALDH1A1 (0.36) OPRM1

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