SCHEMBL21828612

SCHEMBL21828612

CC(O)C(N)C(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.36
MME P08473 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
CTSC P53634 1/20 0.35

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
SCHEMBL29374335 1.00 ACE (0.36) ACEMMECPA1ACE2CTSC
SCHEMBL31064827 0.95 BACE1 (0.35) ACE
SCHEMBL29384990 0.93 ACE (0.38) ACEMME
SCHEMBL79320 0.92 ACE (0.36) ACEMMECPA1ACE2CTSC
SCHEMBL78173 0.92 ACE (0.36) ACEMMECPA1ACE2CTSC
SCHEMBL78174 0.92 ACE (0.36) ACEMMECPA1ACE2CTSC
SCHEMBL29532207 0.91 MME (0.41) MME
SCHEMBL29849128 0.90 MME (0.36) ACEMME
SCHEMBL29961809 0.90 MME (0.45) ACEMMECPA1ACE2
SCHEMBL29517172 0.90 ERAP2 (0.35) 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
WO-2020071258-A1 PROTEIN GLYCATION SUPPRESSANT 味の素株式会社 2020-04-09 WO disclosed