SCHEMBL12831734

SCHEMBL12831734

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.33
DPP7 Q9UHL4 5/20 0.33
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 3/20 0.33
FAP Q12884 2/20 0.33
OPRM1 P35372 1/20 0.33
F2 P00734 1/20 0.31
NTSR2 O95665 1/20 0.30
NTSR1 P30989 1/20 0.30
SORT1 Q99523 1/20 0.30
PEPD P12955 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
SCHEMBL13071454 0.93 DPP4 (0.33) DPP4DPP7DPP8DPP9FAP
SCHEMBL12831724 0.84 F2 (0.39) F2
SCHEMBL12831740 0.80 OPRM1 (0.34) DPP4DPP7DPP8DPP9FAP
SCHEMBL6124837 0.78 F2 (0.40) F2
SCHEMBL13071463 0.75 DPP4 (0.39) DPP4DPP7DPP8DPP9FAP
SCHEMBL13071458 0.75 DPP8 (0.38) DPP4DPP8OPRM1F2
SCHEMBL12831733 0.75 F2 (0.38) F2
SCHEMBL13071561 0.75 DPP4 (0.39) DPP4DPP7DPP8DPP9FAP
SCHEMBL13071900 0.75 TACR1 (0.36) F2
SCHEMBL13711252 0.72 AGTR2 (0.39) DPP4DPP7DPP8DPP9OPRM1

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