SCHEMBL6529329

SCHEMBL6529329

Cc1nnc(C(=O)C2(C)C[C@H](F)CN2C(=O)CNC23CC4CC(CC(C4)C2)C3)o1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.63
DPP7 Q9UHL4 7/20 0.63
DPP8 Q6V1X1 6/20 0.63
EPHX2 P34913 1/20 0.39
FAP Q12884 2/20 0.35
DPP9 Q86TI2 1/20 0.33
GLMN Q92990 1/20 0.33

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
SCHEMBL6530581 0.71 DPP4 (1.00) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6529840 0.69 DPP4 (0.68) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6529836 0.69 DPP4 (1.00) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6530574 0.69 DPP4 (1.00) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6530583 0.65 DPP4 (0.67) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6509890 0.62 DPP4 (1.00) DPP4DPP7DPP8FAPDPP9
SCHEMBL6511786 0.62 DPP4 (0.83) DPP4DPP7DPP8EPHX2FAP
SCHEMBL15013349 0.60 EPHX2 (0.47) DPP4DPP7DPP8EPHX2
SCHEMBL6530052 0.59 DPP4 (0.79) DPP4DPP7DPP8FAPDPP9
Hydrochloric Acid SCHEMBL5207185 0.58 DPP4 (0.97) DPP4DPP8DPP9

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