SCHEMBL11313252

SCHEMBL11313252

C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.56
▸ ACE2 Q9BYF1 4/20 0.54
▸ LTA4H P09960 2/20 0.53
▸ LMNA P02545 1/20 0.52

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
SCHEMBL11313236 1.00 ACE (0.56) ACEACE2LTA4HLMNA
SCHEMBL7383518 0.89 ACE (0.62) ACEACE2LTA4HLMNA
SCHEMBL11268587 0.89 ACE (0.62) ACEACE2LTA4HLMNA
Probestin SCHEMBL27581929 0.85 ACE (0.50) ACEACE2LTA4H
Probestin SCHEMBL27581925 0.85 ACE (0.50) ACEACE2LTA4H
Probestin SCHEMBL27581922 0.85 ACE (0.50) ACEACE2LTA4H
Probestin SCHEMBL12609366 0.85 ACE (0.50) ACEACE2LTA4H
SCHEMBL10656412 0.85 ACE (0.58) ACEACE2LTA4HLMNA
SCHEMBL9068758 0.84 ACE (0.60) ACEACE2LTA4HLMNA
SCHEMBL10768815 0.84 ACE (0.59) ACEACE2LTA4HLMNA

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-4293481-A AND USEFUL AS HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-10-06 — — US claimed
US-4293481-A AND USEFUL AS HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-10-06 — — US disclosed
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