SCHEMBL4586411

SCHEMBL4586411

CC1(C[C@@H](N)C(=O)O)C=CC=CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.38
SLC7A5 Q01650 1/20 0.33
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 1/20 0.31

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
SCHEMBL6364327 1.00 GRM1 (0.38) GRM1SLC7A5PTGS1SLC7A11GRIK1
SCHEMBL4587196 1.00 GRM1 (0.38) GRM1SLC7A5PTGS1SLC7A11GRIK1
SCHEMBL19143631 0.84 GSR (0.35) GRM1GRIK1GRIK2
SCHEMBL26668147 0.78 GRM1 (0.39) GRM1SLC7A5PTGS1SLC7A11GRIK1
SCHEMBL29371043 0.78 GRM1 (0.39) GRM1SLC7A5PTGS1SLC7A11GRIK1
SCHEMBL10606654 0.77 GNPAT (0.32)
SCHEMBL4543133 0.77
SCHEMBL1829757 0.77 GRM1 (0.38) GRM1SLC7A5PTGS1SLC7A11
SCHEMBL1829760 0.77 GRM1 (0.38) GRM1SLC7A5PTGS1SLC7A11
SCHEMBL6070073 0.77 GRM1 (0.38) GRM1SLC7A5PTGS1SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737884-A4 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION UNIV QUEENSLAND (AU) 2008-10-29 EP disclosed
EP-1963362-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-09-03 EP disclosed
WO-2007072997-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 WO disclosed
EP-1737884-A1 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION The University of Queensland (AU) 2007-01-03 EP disclosed
WO-2005090388-A1 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION THE UNIVERSITY OF QUEENSLAND (AU) 2005-09-29 WO disclosed
WO-2004058804-A1 PEPTIDES AND THERAPEUTIC USES THEREOF WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2004-07-15 WO disclosed
WO-2002088184-A9 A MOLECULAR MARKER MURDOCH CHILDRENS RES INST (AU) 2004-02-19 WO disclosed