SCHEMBL3843366

SCHEMBL3843366

O=C([C@@H]1C[C@H](N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CN1)N1CC[C@H](F)C1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.72
DPP8 Q6V1X1 8/20 0.71
DPP7 Q9UHL4 7/20 0.71
KCNH2 Q12809 1/20 0.52
DPP9 Q86TI2 1/20 0.51
KDM4E B2RXH2 1/20 0.48
ABL1 P00519 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL3843378 1.00 DPP4 (0.72) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3841919 0.94 DPP4 (0.75) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3841324 0.90 DPP4 (0.75) DPP4DPP8DPP7KCNH2DPP9
Hydrochloric Acid SCHEMBL2711120 0.83 DPP4 (0.98) DPP4DPP8DPP7DPP9
SCHEMBL3841337 0.83 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL3849857 0.81 DPP4 (0.73) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3849862 0.81 DPP4 (0.73) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3841927 0.80 DPP4 (0.71) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3841928 0.80 DPP4 (0.71) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3842842 0.80 DPP4 (0.93) DPP4DPP8DPP7DPP9

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