SCHEMBL3842215

SCHEMBL3842215

O=C([C@@H]1C[C@H](N2CCN(c3nc4ccc(Cl)cc4o3)CC2)CN1)N1CCC(F)(F)C1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.79
DPP8 Q6V1X1 10/20 0.79
DPP7 Q9UHL4 10/20 0.79
FAP Q12884 1/20 0.59
DPP9 Q86TI2 1/20 0.59

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
SCHEMBL3840625 0.93 DPP4 (0.79) DPP4DPP8DPP7FAPDPP9
SCHEMBL3845455 0.88 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9
SCHEMBL3844879 0.86 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9
SCHEMBL3843328 0.86 DPP4 (0.80) DPP4DPP8DPP7FAPDPP9
SCHEMBL3845265 0.85 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9
SCHEMBL2861946 0.84 DPP4 (0.78) DPP4
SCHEMBL3846610 0.81 DPP4 (0.90) DPP4DPP8DPP7FAPDPP9
SCHEMBL3840617 0.81 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9
SCHEMBL2855882 0.77 DPP4 (0.78) DPP4
SCHEMBL3843941 0.77 DPP4 (0.69) DPP4DPP8DPP7FAPDPP9

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-2116541-B1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors PFIZER PROD INC (US) 2015-02-25 EP disclosed
EP-2116541-A1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors Pfizer Products Incorporated (US) 2009-11-11 EP disclosed