SCHEMBL2740200

SCHEMBL2740200

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.63
▸ ACE P12821 4/20 0.57
▸ CPA1 P15085 4/20 0.57
▸ ACE2 Q9BYF1 4/20 0.57
▸ ALPI P09923 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ XIAP P98170 1/20 0.54
▸ SLC7A5 Q01650 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL2739525 1.00 MME (0.63) MMEACECPA1ACE2ALPI
SCHEMBL2739563 1.00 MME (0.63) MMEACECPA1ACE2ALPI
SCHEMBL2739487 1.00 MME (0.63) MMEACECPA1ACE2ALPI
Trifluoroacetic Acid SCHEMBL29484056 0.93 MME (0.56) MMEACECPA1ACE2NPSR1
SCHEMBL30581391 0.90 MME (0.67) MMEACECPA1ACE2ALPI
SCHEMBL1329567 0.90 MME (0.67) MMEACECPA1ACE2ALPI
SCHEMBL825577 0.90 MME (0.67) MMEACECPA1ACE2ALPI
SCHEMBL5065345 0.90 MME (0.67) MMEACECPA1ACE2ALPI
SCHEMBL30581399 0.90 MME (0.67) MMEACECPA1ACE2ALPI
SCHEMBL7355800 0.90 MME (0.67) MMEACECPA1ACE2ALPI

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-1863832-B1 AGE INHIBITORS CENTRE NAT RECH SCIENT (FR) 2012-01-04 — — EP disclosed
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