SCHEMBL7936708

SCHEMBL7936708

CC(C(=O)N1C(C#N)CC2CC21)C12CC3C[C@@H](CC(O)(C3)C1)C2

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.76
CYP3A4 P08684 2/20 0.76
DPP8 Q6V1X1 2/20 0.76
DPP9 Q86TI2 2/20 0.76

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
SCHEMBL15494133 1.00 DPP4 (0.76) DPP4CYP3A4DPP8DPP9
SCHEMBL15335676 1.00 DPP4 (0.76) DPP4CYP3A4DPP8DPP9
SCHEMBL15149531 1.00 DPP4 (0.76) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL2742680 0.86 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL15579932 0.86 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL23752173 0.86 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL17131050 0.86 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL15752149 0.86 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL12518855 0.86 DPP4 (1.00) DPP4CYP3A4DPP8DPP9
Saxagliptin Anhydrous SCHEMBL8250350 0.86 DPP4 (1.00) DPP4CYP3A4DPP8DPP9

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-2010029422-A1 NOVEL DIPEPTIDYL PEPTIDASE (DP-IV) COMPOUNDS CADILA PHARMACEUTICALS LTD. (IN) 2010-03-18 WO disclosed