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SCHEMBL14440604

SCHEMBL14440604

C[C@@H]1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)[C@H](CC(F)(F)F)C(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 1.00
▸ DPP8 Q6V1X1 15/20 1.00
▸ DPP7 Q9UHL4 14/20 1.00
▸ DPP9 Q86TI2 1/20 0.57

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
SCHEMBL8295832 0.90 DPP4 (0.81) DPP4DPP8DPP7
SCHEMBL4708250 0.86 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL8293548 0.85 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL14440603 0.85 DPP4 (0.83) DPP4DPP8DPP7DPP9
SCHEMBL8295830 0.85 DPP4 (0.83) DPP4DPP8DPP7DPP9
SCHEMBL8293545 0.83 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL388929 0.83 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL21067975 0.83 DPP4 (1.00) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL4160735 0.82 DPP4 (0.98) DPP4DPP8DPP7
SCHEMBL27206700 0.81 DPP4 (1.00) DPP4DPP8DPP7

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-7259160-B2 Hexahydrodiazepinones as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-08-21 — — US disclosed
US-7259160-B2 Hexahydrodiazepinones as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-08-21 — — US disclosed