SCHEMBL3136759

SCHEMBL3136759

NNC(=O)C[C@@H](Cc1cc(F)ccc1F)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.41
DPP8 Q6V1X1 6/20 0.40
DPP7 Q9UHL4 4/20 0.40
DPP9 Q86TI2 4/20 0.38
MAPK8 P45983 1/20 0.38
MME P08473 1/20 0.36
MMEL1 Q495T6 1/20 0.36

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
SCHEMBL3136093 0.85 DPP4 (0.39) DPP4DPP8DPP7DPP9
SCHEMBL8270606 0.82 SCN9A (0.43) DPP4DPP8DPP7DPP9
SCHEMBL4489140 0.73 DPP4 (0.41) DPP4DPP8DPP7DPP9
SCHEMBL10054446 0.73 MMEL1 (0.42) DPP4DPP8DPP7DPP9MAPK8
SCHEMBL18262776 0.72 MME (0.54) MMEMMEL1
SCHEMBL18262773 0.72 MME (0.54) MMEMMEL1
SCHEMBL1509219 0.70 CTSS (0.45) DPP4DPP8DPP7DPP9MME
SCHEMBL2364410 0.70 CTSS (0.45) DPP4DPP8DPP7DPP9MME
SCHEMBL10054447 0.70 CTSS (0.45) DPP4DPP8DPP7DPP9MME
SCHEMBL5813062 0.70 DPP4 (0.46) 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
EP-1784188-B1 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-07-14 EP disclosed