SCHEMBL6530581

SCHEMBL6530581

Cc1nnc(C(=O)C2CC(F)(F)CN2C(=O)CNC23CC4CC(CC(C4)C2)C3)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
DPP7 Q9UHL4 9/20 1.00
DPP8 Q6V1X1 7/20 1.00
EPHX2 P34913 1/20 0.42
FAP Q12884 2/20 0.40

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
SCHEMBL6529836 0.82 DPP4 (1.00) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6530574 0.82 DPP4 (1.00) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6530583 0.80 DPP4 (0.67) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6529840 0.78 DPP4 (0.68) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6509890 0.74 DPP4 (1.00) DPP4DPP7DPP8FAP
SCHEMBL6511786 0.74 DPP4 (0.83) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6529329 0.71 DPP4 (0.63) DPP4DPP7DPP8EPHX2FAP
SCHEMBL6530052 0.71 DPP4 (0.79) DPP4DPP7DPP8FAP
SCHEMBL6530580 0.62 DPP4 (0.82) DPP4DPP7DPP8
SCHEMBL6529279 0.62 DPP4 (0.82) DPP4DPP7DPP8

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