SCHEMBL11225012

SCHEMBL11225012

NCCCC[C@H](Nc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.68
▸ LTA4H P09960 2/20 0.47

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
SCHEMBL27906704 0.89 ACE (0.61) ACE
SCHEMBL27890162 0.89 ACE (0.61) ACE
SCHEMBL27890165 0.86 ACE (0.73) ACELTA4H
SCHEMBL27890164 0.86 ACE (0.73) ACELTA4H
SCHEMBL10679400 0.85 ACE (0.66) ACE
SCHEMBL27890168 0.85 ACE (0.61) ACE
SCHEMBL27906706 0.85 ACE (0.61) ACE
SCHEMBL28803852 0.83 ACE (0.64) ACELTA4H
SCHEMBL10885166 0.83 ACE (0.64) ACE
SCHEMBL17660482 0.83 ACE (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079522-A1 N-Carboxymethyl(amidino)lysyl-proline antihypertensive agents MERCK & CO. INC. (US) 1983-05-25 — — EP disclosed
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