SCHEMBL6511787

SCHEMBL6511787

Cc1nnc(CC2SCCN2C(=O)CNC23CC4CC(CC(O)(C4)C2)C3)o1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.59
DPP8 Q6V1X1 8/20 0.59
DPP7 Q9UHL4 5/20 0.59
DPP9 Q86TI2 3/20 0.45
FAP Q12884 1/20 0.45
GLMN Q92990 1/20 0.37
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL6509890 0.74 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL6511786 0.73 DPP4 (0.83) DPP4DPP8DPP7DPP9FAP
SCHEMBL6529840 0.72 DPP4 (0.68) DPP4DPP8DPP7FAP
SCHEMBL6530583 0.70 DPP4 (0.67) DPP4DPP8DPP7FAP
SCHEMBL7795161 0.67 DPP4 (0.71) DPP4DPP8DPP7DPP9FAP
SCHEMBL1038132 0.66 DPP4 (0.73) DPP4DPP8DPP7DPP9FAP
SCHEMBL30730737 0.66 DPP4 (0.73) DPP4DPP8DPP7DPP9FAP
SCHEMBL3189715 0.65 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL6507564 0.64 DPP4 (0.73) DPP4DPP8DPP7DPP9FAP
SCHEMBL17048338 0.64 DPP4 (0.69) DPP4DPP8DPP7DPP9FAP

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-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 WO disclosed