SCHEMBL8296996

SCHEMBL8296996

N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.73

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 SCHEMBL2710294 0.99 DPP4 (0.71) DPP4
Hydrochloric Acid SCHEMBL2710287 0.99 DPP4 (0.71) DPP4
Trifluoroacetic Acid SCHEMBL2712122 0.91 DPP4 (0.62) DPP4
SCHEMBL24322709 0.84 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL2709773 0.83 DPP4 (0.97) DPP4
Hydrochloric Acid SCHEMBL2709768 0.83 DPP4 (0.97) DPP4
SCHEMBL2162304 0.82 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL6182896 0.81 DPP4 (0.97) DPP4
Hydrochloric Acid SCHEMBL2708578 0.80 DPP4 (0.68) DPP4
Hydrochloric Acid SCHEMBL2708574 0.80 DPP4 (0.68) DPP4

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
US-7186731-B2 2-cyanopyrrolidinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2007-03-06 US disclosed
WO-2005042533-A2 2-CYANOPYRROLIDINECARBOXAMIDES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS ASTELLAS PHARMA INC. (JP) 2005-05-12 WO disclosed