SCHEMBL3843529

SCHEMBL3843529

O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1C[C@@H](F)[C@H](F)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
DPP8 Q6V1X1 9/20 1.00
DPP7 Q9UHL4 9/20 1.00
KCNH2 Q12809 1/20 1.00
FAP Q12884 1/20 0.70
DPP9 Q86TI2 1/20 0.70
FAAH O00519 1/20 0.48
MGLL Q99685 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
SCHEMBL3842850 1.00 DPP4 (1.00) DPP4DPP8DPP7KCNH2FAP
SCHEMBL3842848 1.00 DPP4 (1.00) DPP4DPP8DPP7KCNH2FAP
SCHEMBL3840953 0.93 DPP4 (1.00) DPP4DPP8DPP7KCNH2FAP
SCHEMBL3842509 0.90 DPP4 (1.00) DPP4DPP8DPP7KCNH2FAP
SCHEMBL3843211 0.90 DPP4 (1.00) DPP4DPP8DPP7KCNH2FAP
SCHEMBL3842844 0.89 DPP4 (1.00) DPP4DPP8DPP7KCNH2FAP
SCHEMBL3840882 0.89 DPP4 (1.00) DPP4DPP8DPP7KCNH2FAP
SCHEMBL3840885 0.89 DPP4 (1.00) DPP4DPP8DPP7KCNH2FAP
SCHEMBL3844733 0.87 DPP4 (0.76) DPP4DPP8DPP7KCNH2FAP
SCHEMBL3844730 0.87 DPP4 (0.76) DPP4DPP8DPP7KCNH2FAP

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