SCHEMBL3849862

SCHEMBL3849862

O=C([C@@H]1C[C@H](N2CCN(c3cnccn3)CC2)CN1)N1CCC(F)C1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.73
DPP8 Q6V1X1 10/20 0.73
DPP7 Q9UHL4 9/20 0.73
KCNH2 Q12809 1/20 0.58
DPP9 Q86TI2 2/20 0.49
FAP Q12884 1/20 0.49

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
SCHEMBL3849857 1.00 DPP4 (0.73) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3846357 0.94 DPP4 (0.72) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3840885 0.84 DPP4 (1.00) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3842844 0.84 DPP4 (1.00) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3840882 0.84 DPP4 (1.00) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3846398 0.82 DPP4 (1.00) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3843366 0.81 DPP4 (0.72) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3843378 0.81 DPP4 (0.72) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL3840959 0.81 DPP4 (0.68) DPP4DPP8DPP7KCNH2DPP9
SCHEMBL6516447 0.79 DPP4 (0.72) DPP4DPP8DPP7KCNH2

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