SCHEMBL3844587

SCHEMBL3844587

O=C([C@@H]1C[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)CN1)N1C[C@@H](F)[C@@H](F)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.61
DPP8 Q6V1X1 2/20 0.61
DPP7 Q9UHL4 2/20 0.61
KCNH2 Q12809 1/20 0.61
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL3845468 0.88 DPP4 (0.73) DPP4DPP8DPP7KCNH2
Hydrochloric Acid SCHEMBL2708853 0.85 DPP4 (0.78) DPP4DPP8
Hydrochloric Acid SCHEMBL3844477 0.84 DPP4 (0.69) DPP4DPP8DPP7POLB
SCHEMBL3841324 0.81 DPP4 (0.75) DPP4DPP8DPP7KCNH2
SCHEMBL3842850 0.76 DPP4 (1.00) DPP4DPP8DPP7KCNH2
SCHEMBL3843529 0.76 DPP4 (1.00) DPP4DPP8DPP7KCNH2
SCHEMBL3842848 0.76 DPP4 (1.00) DPP4DPP8DPP7KCNH2
SCHEMBL3841919 0.75 DPP4 (0.75) DPP4DPP8DPP7KCNH2
SCHEMBL6516447 0.75 DPP4 (0.72) DPP4DPP8DPP7KCNH2
SCHEMBL6516455 0.75 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