SCHEMBL11268825

SCHEMBL11268825

CC(=O)SCC(C(=O)N1CC(=O)C[C@H]1C(=O)O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.48
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL11268004 0.83 ACE (0.53) ACEDPP4DPP8DPP9
SCHEMBL11271111 0.82 ACE (0.68) ACE
SCHEMBL11305254 0.82 ACE (0.68) ACE
SCHEMBL11269748 0.81 ACE (0.45) ACE
SCHEMBL11266614 0.80 ACE (0.50) ACEDPP4DPP8DPP9
SCHEMBL11266618 0.80 ACE (0.50) ACEDPP4DPP8DPP9
SCHEMBL11263906 0.80 ACE (0.50) ACEDPP4DPP8DPP9
SCHEMBL11373489 0.78 ACE (0.49) ACE
SCHEMBL10556618 0.78 ACE (0.49) ACE
SCHEMBL11449625 0.77 ACE (0.39) ACE

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-4330548-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-05-18 US disclosed
US-4296113-A FOR TREATING HYPERTENSION BY INHIBITING ANGIOTENSIN CONVERTING ENZYME E. R. SQUIBB & SONS, INC. (US) 1981-10-20 US disclosed