SCHEMBL6623673

SCHEMBL6623673

N[C@@H](CC(=O)CNc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 7/20 0.50
SLC1A2 P43004 7/20 0.50
SLC1A1 P43005 7/20 0.50
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
LTA4H P09960 2/20 0.45
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
GRIK1 P39086 2/20 0.42
KIF11 P52732 3/20 0.40

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
SCHEMBL1339972 0.78 ALPI (0.52) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL3198336 0.78 ALPI (0.52) SLC1A3SLC1A2SLC1A1ALPIPKM
Leucine SCHEMBL11019376 0.78 SLC7A5 (0.55) SLC1A3SLC1A2SLC1A1ALPIPKM
Leucine SCHEMBL11019375 0.78 SLC7A5 (0.55) SLC1A3SLC1A2SLC1A1ALPIPKM
Cysteine SCHEMBL4970300 0.77 PTGS1 (0.52) SLC1A3SLC1A2SLC1A1ALPIPKM
Dl-Phenylalanine SCHEMBL27397102 0.76 SLC7A5 (0.69) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL15971325 0.75 SLC1A3 (0.81) SLC1A3SLC1A2SLC1A1LTA4H
SCHEMBL8984826 0.75 SLC1A3 (0.81) SLC1A3SLC1A2SLC1A1LTA4H
SCHEMBL2313979 0.75 SLC1A3 (0.81) SLC1A3SLC1A2SLC1A1LTA4H
SCHEMBL29151574 0.74 KMT2A (0.55) SLC1A3SLC1A2SLC1A1ALPIPKM

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-1385831-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
WO-2002083651-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-24 WO disclosed