SCHEMBL6019244

SCHEMBL6019244

O=C(O)N[C@@H](CC(=O)N1CCC[C@H]1CNc1nc(-c2cccc(F)c2)no1)Cc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.51
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
GRM5 P41594 9/20 0.42

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
SCHEMBL14282804 0.90 DPP4 (0.47) DPP4GRM5
SCHEMBL4952703 0.90 DPP4 (0.47) DPP4GRM5
SCHEMBL14282751 0.89 DPP4 (0.65) DPP4DPP8DPP9DPP7
SCHEMBL14282802 0.89 DPP4 (0.65) DPP4DPP8DPP9DPP7
SCHEMBL14282795 0.84 DPP4 (0.46) DPP4DPP8DPP9DPP7
SCHEMBL14282794 0.83 DPP4 (0.65) DPP4DPP8DPP9DPP7
SCHEMBL14282801 0.83 DPP4 (0.44) DPP4DPP8DPP9DPP7GRM5
SCHEMBL14282749 0.82 DPP4 (0.58) DPP4DPP8DPP9DPP7
SCHEMBL14282799 0.82 DPP4 (0.58) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL4957955 0.80 DPP4 (0.45) DPP4GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed