SCHEMBL8071679

SCHEMBL8071679

N#C[C@@H]1CSCN1C(=O)CNC1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.65
DPP8 Q6V1X1 1/20 0.63
DPP9 Q86TI2 1/20 0.63

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
Hydrochloric Acid SCHEMBL6593774 0.99 DPP4 (0.64) DPP4DPP8DPP9
SCHEMBL8268487 0.99 DPP4 (0.64) DPP4DPP8DPP9
SCHEMBL5100994 0.88 DPP4 (0.51) DPP4DPP8DPP9
SCHEMBL555779 0.85 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL4712769 0.83 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL4712767 0.83 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL15238181 0.82 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL4711726 0.82 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL4711724 0.82 DPP4 (0.49) DPP4DPP8DPP9
Trifluoroacetic Acid SCHEMBL5103998 0.81 DPP4 (0.45) DPP4DPP8DPP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110949-A A SERINE PROTEASE INHIBITOR TREATING NON-INSULIN-DEPENDENT DIABETES MELLITUS NOVARTIS AG (CH) 2000-08-29 US claimed
WO-2004111041-A1 PYRROLIDINE, THIAZOLIDINE AND OXAZOLIDINE COMPOUNDS WHICH INHIBIT DIPEPTIDYL PEPTIDASE-IV (DPP) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-23 WO disclosed
WO-2004099185-A1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-18 WO disclosed
US-6110949-A A SERINE PROTEASE INHIBITOR TREATING NON-INSULIN-DEPENDENT DIABETES MELLITUS NOVARTIS AG (CH) 2000-08-29 US disclosed