SCHEMBL3840863

SCHEMBL3840863

O=C([C@@H]1C[C@H](N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)CN1)N1CC[C@H](F)C1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.75
DPP8 Q6V1X1 5/20 0.75
DPP9 Q86TI2 1/20 0.75
DPP7 Q9UHL4 4/20 0.58
MAPT P10636 1/20 0.49
ADRB2 P07550 1/20 0.48
KCNH2 Q12809 1/20 0.47
MAPK1 P28482 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 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
SCHEMBL3840867 1.00 DPP4 (0.75) DPP4DPP8DPP9DPP7MAPT
SCHEMBL3840719 0.95 DPP4 (0.78) DPP4DPP8DPP9DPP7MAPT
SCHEMBL3844364 0.87 DPP4 (0.77) DPP4DPP8DPP9DPP7MAPT
Hydrochloric Acid SCHEMBL2709755 0.85 DPP4 (0.98) DPP4DPP8DPP9
SCHEMBL3847094 0.85 DPP4 (0.73) DPP4DPP8DPP9DPP7MAPT
Hydrochloric Acid SCHEMBL2708587 0.85 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2728110 0.83 DPP4 (0.92) DPP4DPP8DPP9
SCHEMBL6516455 0.79 DPP4 (0.72) DPP4DPP8DPP7KCNH2
SCHEMBL6516447 0.79 DPP4 (0.72) DPP4DPP8DPP7KCNH2
SCHEMBL2850463 0.76 DPP4 (0.82) DPP4DPP8DPP9

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