SCHEMBL3844879

SCHEMBL3844879

O=C([C@@H]1C[C@H](N2CCN(c3nc4ccncc4o3)CC2)CN1)N1CCC(F)(F)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP7 Q9UHL4 12/20 1.00
DPP8 Q6V1X1 11/20 1.00
FAP Q12884 2/20 0.63
DPP9 Q86TI2 1/20 0.63
KCNH2 Q12809 1/20 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
SCHEMBL3846610 0.95 DPP4 (0.90) DPP4DPP7DPP8FAPDPP9
SCHEMBL3845265 0.93 DPP4 (1.00) DPP4DPP7DPP8FAPDPP9
SCHEMBL3845455 0.90 DPP4 (1.00) DPP4DPP7DPP8FAPDPP9
SCHEMBL3844343 0.88 DPP4 (0.78) DPP4DPP7DPP8FAPDPP9
SCHEMBL3844341 0.88 DPP4 (0.78) DPP4DPP7DPP8FAPDPP9
SCHEMBL3848298 0.87 DPP4 (0.77) DPP4DPP7DPP8FAPDPP9
SCHEMBL3842215 0.86 DPP4 (0.79) DPP4DPP7DPP8FAPDPP9
SCHEMBL3843328 0.85 DPP4 (0.80) DPP4DPP7DPP8FAPDPP9
SCHEMBL3848133 0.85 DPP4 (0.74) DPP4DPP7DPP8FAPDPP9
SCHEMBL3848123 0.85 DPP4 (0.74) DPP4DPP7DPP8FAPDPP9

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