SCHEMBL5772714

SCHEMBL5772714

NC(CC(=O)N1CC(C(=O)Nc2ccccn2)C1)Cc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.52
DPP7 Q9UHL4 5/20 0.52
DPP9 Q86TI2 1/20 0.48
DPP8 Q6V1X1 2/20 0.46

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
SCHEMBL5772718 1.00 DPP4 (0.52) DPP4DPP7DPP9DPP8
SCHEMBL8491789 0.80 SCN9A (0.43)
SCHEMBL4917495 0.80 SCN9A (0.43)
SCHEMBL4913509 0.80 DPP4 (0.53) DPP4DPP7DPP9DPP8
SCHEMBL4913502 0.80 DPP4 (0.53) DPP4DPP7DPP9DPP8
SCHEMBL8293131 0.79 DPP4 (0.51) DPP4DPP7DPP8
SCHEMBL8288194 0.78 DPP4 (0.52) DPP4DPP7DPP9DPP8
SCHEMBL8474193 0.77 DPP4 (0.55) DPP4DPP7DPP9DPP8
SCHEMBL8474122 0.77 DPP4 (0.55) DPP4DPP7DPP9DPP8
SCHEMBL14007013 0.76 DPP4 (0.52) DPP4DPP7DPP9DPP8

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
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 EP disclosed