SCHEMBL11190870

SCHEMBL11190870

N[C@@H](CCCCNCC(F)(F)F)C(=O)N1CCC[C@H]1C(=O)O[C@@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.49
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
FKBP1A P62942 6/20 0.43
F2 P00734 1/20 0.41

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
SCHEMBL11196591 0.90 ACE (0.52) ACEDPP4DPP8DPP9DPP7
SCHEMBL11195194 0.90 ACE (0.52) ACEDPP4DPP8DPP9DPP7
SCHEMBL3370866 0.89 ACE (0.49) ACEDPP4DPP8DPP9DPP7
SCHEMBL11191259 0.88 ACE (0.55) ACEDPP4DPP8DPP9DPP7
SCHEMBL11192710 0.87 ACE (0.51) ACEDPP4DPP8DPP9DPP7
SCHEMBL11195321 0.86 ACE (0.50) ACEDPP4DPP8DPP9DPP7
SCHEMBL649163 0.85 ACE (0.58) ACEDPP4DPP8DPP9DPP7
SCHEMBL10882970 0.85 ACE (0.50) ACEDPP4DPP8DPP9DPP7
SCHEMBL10882819 0.85 ACE (0.51) ACEDPP4DPP8DPP9DPP7
SCHEMBL10881981 0.84 ACE (0.49) ACEDPP4DPP8DPP9DPP7

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-0081094-A1 Substituted omega-amino-carboxymethyldipeptide antihypertensive agents MERCK & CO. INC. (US) 1983-06-15 EP disclosed