SCHEMBL2477397

SCHEMBL2477397

NC(CCC(=O)N1CCn2c(nnc2C(F)(F)F)C1)c1cc(F)c(F)cc1F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.64
▸ DPP8 Q6V1X1 10/20 0.64
▸ DPP9 Q86TI2 3/20 0.64
▸ DPP7 Q9UHL4 2/20 0.64
▸ ACE P12821 1/20 0.64
▸ HTR2A P28223 1/20 0.64
▸ FAP Q12884 1/20 0.64

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
SCHEMBL14634819 1.00 DPP4 (0.64) DPP4DPP8DPP9DPP7ACE
Phosphoric Acid SCHEMBL20162034 0.95 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
Phosphoric Acid SCHEMBL16227292 0.80 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL13730075 0.79 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL15477372 0.79 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL28557785 0.78 DPP4 (0.57) DPP4DPP8DPP9DPP7ACE
SCHEMBL5138244 0.78 DPP4 (0.47) DPP4DPP8DPP9DPP7ACE
SCHEMBL7891864 0.78 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL17783 0.78 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL19520418 0.78 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011109787-A1 METHODS OF ADMINISTERING INSULINOTROPIC PEPTIDES CONJUCHEM, LLC (US) 2011-09-09 — — WO disclosed
WO-2011109784-A1 FORMULATION OF INSULINOTROPIC PEPTIDE CONJUGATES CONJUCHEM, LLC (US) 2011-09-09 — — WO disclosed
EP-1951286-A1 COMBINED USE OF DPP IV INHIBITORS AND GASTRIN COMPOUNDS Waratah Pharmaceuticals, Inc. (CA) 2008-08-06 — — EP disclosed
WO-2007041833-A1 COMBINED USE OF DPP IV INHIBITORS AND GASTRIN COMPOUNDS WARATAH PHARMACEUTICALS, INC. (CA) 2007-04-19 — — WO disclosed
EP-1732562-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-12-20 — — EP disclosed
WO-2006083491-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-08-10 — — WO disclosed
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