SCHEMBL15401771

SCHEMBL15401771

[N-]=[N+]=N[C@@H](CC(=O)C1Cc2nnc(C(F)(F)F)n2CN1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.43
▸ DPP8 Q6V1X1 8/20 0.43
▸ DPP7 Q9UHL4 5/20 0.43
▸ DPP9 Q86TI2 4/20 0.43
▸ ACE P12821 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ FAP Q12884 1/20 0.43

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
SCHEMBL3515104 0.84 DPP4 (0.58) DPP4DPP8DPP7DPP9ACE
SCHEMBL2685859 0.78 DPP4 (0.47) DPP4DPP8DPP7DPP9ACE
SCHEMBL3514413 0.77 DPP4 (0.41) DPP4DPP8DPP7DPP9ACE
SCHEMBL15346013 0.77 DPP4 (0.71) DPP4DPP8DPP7DPP9ACE
SCHEMBL15346060 0.77 DPP4 (0.71) DPP4DPP8DPP7DPP9ACE
SCHEMBL15346016 0.77 DPP4 (0.71) DPP4DPP8DPP7DPP9ACE
SCHEMBL30357985 0.77 DPP4 (0.71) DPP4DPP8DPP7DPP9ACE
SCHEMBL3807159 0.73 DPP4 (0.38) DPP4DPP8DPP7DPP9ACE
SCHEMBL15417122 0.68 DPP4 (0.36) DPP4DPP8DPP7DPP9
SCHEMBL28140300 0.68 DPP4 (0.36) DPP4DPP8DPP7DPP9

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
US-8624026-B2 Method of preparing sitagliptin and intermediates used therein HANMI SCIENCE CO., LTD (KR) 2014-01-07 — — US disclosed
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