SCHEMBL8216472

SCHEMBL8216472

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](CCS)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.67
MME P08473 3/20 0.67
LTA4H P09960 1/20 0.66
ACE P12821 1/20 0.63

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
SCHEMBL8216478 1.00 ECE1 (0.67) ECE1MMELTA4HACE
SCHEMBL8216475 1.00 ECE1 (0.67) ECE1MMELTA4HACE
SCHEMBL6170852 0.92 ECE1 (0.73) ECE1MMELTA4HACE
SCHEMBL6171226 0.92 ECE1 (0.73) ECE1MMELTA4HACE
SCHEMBL6171492 0.92 ECE1 (0.73) ECE1MMELTA4HACE
SCHEMBL6169688 0.86 ECE1 (0.77) ECE1MMELTA4HACE
SCHEMBL6169067 0.86 ECE1 (0.77) ECE1MMELTA4HACE
SCHEMBL6169693 0.86 ECE1 (0.77) ECE1MMELTA4HACE
SCHEMBL6169075 0.86 ECE1 (0.77) ECE1MMELTA4HACE
SCHEMBL4193332 0.84 MME (0.77) ECE1MMELTA4HACE

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
US-6136842-A INHIBITION OF ENDOTHELIN-CONVERTING ENZYME HOECHST MARION ROUSSEL (FR) 2000-10-24 US disclosed