SCHEMBL5779993

SCHEMBL5779993

CC(C)(CN)NCC(=O)N1C[C@@H](F)C[C@H]1C#N

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.80

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 SCHEMBL5776012 0.99 DPP4 (0.78) DPP4
SCHEMBL5141562 0.89 DPP4 (1.00) DPP4
SCHEMBL8006990 0.88 DPP4 (0.76) DPP4
Hydrochloric Acid SCHEMBL5144713 0.88 DPP4 (0.97) DPP4
SCHEMBL5207366 0.87 DPP4 (1.00) DPP4
SCHEMBL5776478 0.86 DPP4 (0.73) DPP4
Hydrochloric Acid SCHEMBL5206490 0.86 DPP4 (0.97) DPP4
SCHEMBL5777513 0.85 DPP4 (0.76) DPP4
Hydrochloric Acid SCHEMBL5207198 0.84 DPP4 (1.00) DPP4
SCHEMBL5779009 0.84 DPP4 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627870-A1 CYANOFLUOROPYRROLIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-02-22 EP disclosed