SCHEMBL10146643

SCHEMBL10146643

Cc1ccc(Oc2ncccc2N)cc1-c1ccc2c(c1)n(C)c(=O)n2CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.48
PTAFR P25105 1/20 0.39
HTR2B P41595 1/20 0.39
SCN9A Q15858 1/20 0.36
DRD1 P21728 8/20 0.36
PARG Q86W56 1/20 0.35

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
SCHEMBL10146658 0.93 GRM2 (0.50) GRM2SCN9APARG
SCHEMBL10145817 0.87 GRM2 (0.57) GRM2PARG
SCHEMBL14992886 0.87 GRM2 (0.46) GRM2PTAFRHTR2BDRD1
SCHEMBL20496338 0.85 GRM2 (0.53) GRM2PTAFRHTR2BDRD1PARG
SCHEMBL20496337 0.82 GRM2 (0.42) GRM2PTAFRHTR2BDRD1
SCHEMBL626918 0.80 GRM2 (0.48) GRM2DRD1PARG
SCHEMBL10146378 0.78 GRM2 (0.61) GRM2PARG
SCHEMBL10146645 0.78 GRM2 (0.49) GRM2PTAFRHTR2BPARG
SCHEMBL10146668 0.75 GRM2 (0.70) GRM2PARG
SCHEMBL10145959 0.75 GRM2 (0.72) GRM2SCN9APARG

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
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO disclosed