SCHEMBL10146645

SCHEMBL10146645

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(Oc4cc(N)ccn4)ccc3N)cc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 19/20 0.49
PARG Q86W56 1/20 0.38
PTAFR P25105 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL10146647 0.88 GRM2 (0.48) GRM2PARG
SCHEMBL10146661 0.85 GRM2 (0.55) GRM2PARG
SCHEMBL10146658 0.84 GRM2 (0.50) GRM2PARG
SCHEMBL10146651 0.84 GRM2 (0.50) GRM2PARGPTAFRHTR2B
SCHEMBL10145959 0.83 GRM2 (0.72) GRM2PARG
SCHEMBL10146361 0.83 GRM2 (0.62) GRM2PARGPTAFRHTR2B
SCHEMBL10146655 0.83 GRM2 (0.48) GRM2PARGPTAFRHTR2B
SCHEMBL12505080 0.80 GRM2 (0.45) GRM2
SCHEMBL20496338 0.80 GRM2 (0.53) GRM2PARGPTAFRHTR2B
SCHEMBL10145953 0.79 GRM2 (0.59) GRM2PARGPTAFRHTR2B

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