Sugi Predict

Sugi Predict / Compounds / SCHEMBL8353699

SCHEMBL8353699

SCHEMBL8353699

N[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.54
▸ DPP8 Q6V1X1 11/20 0.54
▸ DPP9 Q86TI2 11/20 0.54
▸ FAP Q12884 10/20 0.54
▸ DPP7 Q9UHL4 9/20 0.54

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
SCHEMBL13525326 0.86 DPP4 (0.60) DPP4DPP8DPP9FAPDPP7
SCHEMBL6755212 0.85 DPP4 (0.77) DPP4DPP8DPP9FAPDPP7
SCHEMBL3164844 0.85 DPP4 (0.77) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL3158044 0.84 DPP4 (0.75) DPP4DPP8DPP9FAPDPP7
SCHEMBL2606794 0.73 CHRM1 (0.54) DPP4DPP7
Hydrochloric Acid SCHEMBL2107122 0.72 CHRM1 (0.53) DPP4DPP7
Hydrochloric Acid SCHEMBL2107126 0.72 CHRM1 (0.53) DPP4DPP7
SCHEMBL29808649 0.72 FDPS (0.53) DPP4
SCHEMBL6752305 0.71 DPP4 (0.81) DPP4DPP8DPP9FAPDPP7
SCHEMBL3164131 0.71 DPP4 (0.81) DPP4DPP8DPP9FAPDPP7

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-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 — — EP disclosed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 — — WO disclosed