SCHEMBL20746440

SCHEMBL20746440

Cc1cccc(CC2CN[C@H](C(=O)O)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.53
F2 P00734 5/20 0.50
HRH3 Q9Y5N1 2/20 0.43
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
ARG1 P05089 1/20 0.41
FAAH O00519 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL29350039 1.00 GRIK1 (0.53) GRIK1F2HRH3GRM2GRM3
Hydrochloric Acid SCHEMBL30405343 0.99 GRIK1 (0.54) GRIK1F2HRH3GRM2GRM3
SCHEMBL30471778 0.88 F2 (0.52) GRIK1F2HRH3GRM2GRM3
SCHEMBL3182082 0.84 EED (0.53) GRIK1GRM2GRM3SLC6A4
SCHEMBL19292680 0.84 HRH3 (0.54) GRIK1F2HRH3ARG1
SCHEMBL22536533 0.84 HRH3 (0.54) GRIK1F2HRH3ARG1
SCHEMBL199034 0.84 HRH3 (0.54) GRIK1F2HRH3ARG1
SCHEMBL199035 0.84 HRH3 (0.54) GRIK1F2HRH3ARG1
SCHEMBL1706921 0.84 HRH3 (0.54) GRIK1F2HRH3ARG1
SCHEMBL3190846 0.84 HRH3 (0.54) GRIK1F2HRH3ARG1

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-3668886-A2 TAU AGGREGATION PEPTIDE INHIBITORS Adrx, Inc. (US) 2020-06-24 EP disclosed
WO-2019036725-A2 TAU AGGREGATION PEPTIDE INHIBITORS ADRX, INC. (US) 2019-02-21 WO disclosed