SCHEMBL6065064

SCHEMBL6065064

N[C@H](CCc1cccc(CCOCCCl)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA1 P42261 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIK2 Q13002 1/20 0.45
GRIK3 Q13003 1/20 0.45
SLC7A5 Q01650 4/20 0.42
LTA4H P09960 2/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC1A5 Q15758 1/20 0.39
SLC1A1 P43005 1/20 0.38
LNPEP Q9UIQ6 1/20 0.37

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
SCHEMBL18886122 0.83 GRIK1 (0.51) GRIK1GRIA2GRIA1GRIA3GRIA4
SCHEMBL4427296 0.81 GRM8 (0.42) GRIK1GRIA2GRIA1GRIA3GRIA4
SCHEMBL6378815 0.78 GRIK1 (0.52) GRIK1GRIA2GRIA1GRIA3GRIA4
SCHEMBL7344592 0.77 SLC1A5 (0.55) GRIK1GRIA2GRIA1GRIA3GRIA4
SCHEMBL7344594 0.77 SLC1A5 (0.55) GRIK1GRIA2GRIA1GRIA3GRIA4
SCHEMBL30963029 0.77 SLC1A5 (0.55) GRIK1GRIA2GRIA1GRIA3GRIA4
SCHEMBL20425536 0.77 SLC1A5 (0.55) GRIK1GRIA2GRIA1GRIA3GRIA4
SCHEMBL30861851 0.77 SLC1A5 (0.55) GRIK1GRIA2GRIA1GRIA3GRIA4
SCHEMBL31369826 0.75 GRIA2 (0.59) GRIK1GRIA2GRIA1GRIA3GRIA4
SCHEMBL31370062 0.75 MAOA (0.55) GRIK1GRIA2GRIA1GRIA3GRIA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635816-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Nicox S.A. (FR) 2006-03-22 EP disclosed
WO-2004110432-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX S.A. (FR) 2004-12-23 WO disclosed