SCHEMBL21700142

SCHEMBL21700142

C=C/C(Cl)=C\C=C(/C)CC(N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 16/20 0.41
GRIK2 Q13002 11/20 0.41
GRM1 Q13255 1/20 0.39
GRM2 Q14416 1/20 0.39
GRIA4 P48058 3/20 0.38
GRIK3 Q13003 3/20 0.38
GRIK5 Q16478 3/20 0.38
GRIA2 P42262 2/20 0.38
GRIA1 P42261 1/20 0.38
SLC7A5 Q01650 1/20 0.37
GGT1 P19440 2/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 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
SCHEMBL8197432 0.76 GRIK1 (0.45) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL1512923 0.72 GRIK1 (0.59) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL1512922 0.72 GRIK1 (0.59) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL25660458 0.72 GRIK1 (0.59) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL24489604 0.70 GRIK1 (0.47) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL14197863 0.70
SCHEMBL26792990 0.70 GRIK1 (0.52) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL13176623 0.69 GRIK1 (0.43) GRIK1GRIK2GRM1GRM2GRIA4
Aspartic Acid SCHEMBL28261447 0.68 GRIK1 (0.54) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL10585579 0.67 GRIK1 (0.48) GRIK1GRIK2GRM1GRM2GRIA4

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
EP-2480247-B1 NOVEL NPR-B AGONISTS SHIRE ORPHAN THERAPIES GMBH (DE) 2020-02-12 EP disclosed