SCHEMBL28515194

SCHEMBL28515194

CNC(C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.36
▸ MME P08473 4/20 0.36
▸ CPA1 P15085 3/20 0.36
▸ ACE2 Q9BYF1 3/20 0.36
▸ ECE1 P42892 4/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34

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
SCHEMBL25355936 0.88 ACE (0.36) ACEMMECPA1ACE2ECE1
SCHEMBL16754914 0.88 ACE (0.36) ACEMMECPA1ACE2ECE1
SCHEMBL8896490 0.88 ACE (0.41) ACEMMECPA1ACE2ECE1
SCHEMBL30781182 0.87 ACE (0.35) ACEMMECPA1ACE2ECE1
SCHEMBL18921925 0.87 ACE (0.35) ACEMMECPA1ACE2ECE1
SCHEMBL29071842 0.86 ACE (0.38) ACEMMECPA1ACE2ECE1
SCHEMBL30035137 0.86 CTRB1 (0.34) ACEMMECPA1ACE2
SCHEMBL749822 0.85 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL17293240 0.85 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL8216358 0.85 ACE (0.51) ACEMMECPA1ACE2ECE1

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
CN-107108680-B Sugar-dipeptide conjugates as flavor molecules 雀巢产品有限公司 2020-12-18 — — CN disclosed
Send feedback