SCHEMBL10659672

SCHEMBL10659672

C[C@@H](C(=O)N1CC(Oc2ccc(F)cc2)C[C@H]1C(=O)O)N(CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.44
▸ ACE2 Q9BYF1 7/20 0.43

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
SCHEMBL10659646 1.00 ACE (0.44) ACEACE2
SCHEMBL10656816 0.85 ACE (0.49) ACEACE2
SCHEMBL10659374 0.82 ACE (0.49) ACEACE2
SCHEMBL10657986 0.82 ACE (0.53) ACEACE2
SCHEMBL10655287 0.81 ACE (0.67) ACEACE2
SCHEMBL7365526 0.81 ACE (0.66) ACEACE2
SCHEMBL7365528 0.81 ACE (0.66) ACEACE2
SCHEMBL10980638 0.75 ACE (0.52) ACEACE2
SCHEMBL10657977 0.75 ACE (0.64) ACEACE2
SCHEMBL10657322 0.74 ACE (0.54) ACEACE2

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
US-4736066-A Intermediate for substituted peptide compounds E. R. SQUIBB & SONS, INC. (US) 1988-04-05 — — US disclosed
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