SCHEMBL3840932

SCHEMBL3840932

CCc1cnc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.77
DPP8 Q6V1X1 14/20 0.77
DPP7 Q9UHL4 14/20 0.77
FAP Q12884 1/20 0.77
DPP9 Q86TI2 1/20 0.77
KCNH2 Q12809 1/20 0.54

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
SCHEMBL3842688 0.87 DPP4 (0.81) DPP4DPP8DPP7FAPDPP9
Gosogliptin SCHEMBL23715004 0.87 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9
Gosogliptin SCHEMBL197108 0.87 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9
SCHEMBL3842662 0.81 DPP4 (0.78) DPP4DPP8DPP7FAPDPP9
SCHEMBL3848283 0.80 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9
SCHEMBL14648442 0.80 DPP4 (0.81) DPP4DPP8DPP7FAPDPP9
SCHEMBL3847095 0.79 DPP4 (0.78) DPP4DPP8DPP7FAPDPP9
SCHEMBL3846398 0.79 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9
SCHEMBL3845134 0.78 DPP4 (0.75) DPP4DPP8DPP7FAPDPP9
SCHEMBL3846638 0.78 DPP4 (0.72) 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