SCHEMBL5586050

SCHEMBL5586050

N#CC1CCCN1C(=O)CNC12CC3CC(C1)CC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)(C3)C2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.60
FAP Q12884 1/20 0.60
DPP8 Q6V1X1 1/20 0.60
DPP9 Q86TI2 1/20 0.60

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
SCHEMBL2876124 1.00 DPP4 (0.60) DPP4FAPDPP8DPP9
SCHEMBL5586099 0.92 DPP4 (0.62) DPP4FAPDPP8DPP9
SCHEMBL2877384 0.92 DPP4 (0.62) DPP4FAPDPP8DPP9
SCHEMBL13025334 0.91 DPP4 (0.56) DPP4FAPDPP8DPP9
SCHEMBL13025310 0.90 DPP4 (0.56) DPP4FAPDPP8DPP9
SCHEMBL12187306 0.90 DPP4 (0.62) DPP4FAPDPP8DPP9
SCHEMBL13066745 0.90 DPP4 (0.62) DPP4FAPDPP8DPP9
SCHEMBL5804204 0.90 DPP4 (0.62) DPP4FAPDPP8DPP9
SCHEMBL12187020 0.90 DPP4 (0.62) DPP4FAPDPP8DPP9
SCHEMBL5816338 0.90 DPP4 (0.62) DPP4FAPDPP8DPP9

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-1794120-A2 PEPTIDASE INHIBITORS Royalty, Susan Marie (US) 2007-06-13 EP disclosed
WO-2006012395-A2 PEPTIDASE INHIBITORS ROYALTY SUSAN MARIE (US) 2006-02-02 WO disclosed