SCHEMBL9755802

SCHEMBL9755802

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

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.76
LTA4H P09960 3/20 0.70
ANPEP P15144 1/20 0.65
ECE1 P42892 1/20 0.65
ACE P12821 2/20 0.58

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
SCHEMBL9755828 0.89 MME (0.67) MMELTA4HANPEPECE1ACE
SCHEMBL9755834 0.86 MME (1.00) MMEACE
SCHEMBL9755824 0.86 MME (0.80) MMELTA4HECE1
SCHEMBL9755796 0.82 MME (0.71) MMEANPEP
SCHEMBL9755800 0.82 MME (0.71) MMEANPEP
SCHEMBL9755813 0.82 MME (0.78) MMEANPEP
SCHEMBL9755830 0.81 BIRC2 (0.70) MMEANPEP
SCHEMBL9755809 0.80 MME (0.67) MMEECE1ACE
SCHEMBL9755807 0.80 MME (0.67) MMEECE1ACE
Kelatorphan SCHEMBL7384464 0.79 LTA4H (1.00) MMELTA4HANPEPECE1

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-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 WO disclosed