SCHEMBL8261997

SCHEMBL8261997

N#C[C@H]1CSCN1C(=O)CNC12CC3=CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.43
DPP8 Q6V1X1 2/20 0.39
FAP Q12884 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL8255595 0.83 DPP4 (0.65) DPP4DPP8FAPDPP9
SCHEMBL12187043 0.83 DPP4 (0.65) DPP4DPP8FAPDPP9
SCHEMBL8262005 0.83 DPP4 (0.67) DPP4DPP8DPP9DPP7
SCHEMBL5806239 0.78 DPP4 (0.57) DPP4DPP8FAPDPP9
SCHEMBL5806233 0.78 DPP4 (0.57) DPP4DPP8FAPDPP9
SCHEMBL2847016 0.72 DPP4 (0.47) DPP4DPP8FAPDPP9DPP7
SCHEMBL5819747 0.71 DPP4 (0.51) DPP4DPP8FAPDPP9DPP7
SCHEMBL13025325 0.69 DPP4 (0.47) DPP4DPP8FAPDPP9
SCHEMBL5789073 0.67 DPP4 (0.66) DPP4DPP8FAPDPP9
SCHEMBL5745750 0.67 DPP4 (0.50) DPP4

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-2006090244-A1 NEW ADAMANTANE DERIVATIVES AS DIPEPTIDYL, PEPTIDASE IV INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2006-08-31 WO disclosed