SCHEMBL23719604

SCHEMBL23719604

CC1CCN(Cc2nc3ncccc3n2C)C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.60
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL23719736 0.81 GRM2 (0.55) GRM2
SCHEMBL12629355 0.81 GRM2 (0.67) GRM2DRD2DRD4DRD3
SCHEMBL14197759 0.81 GRM2 (0.67) GRM2DRD2DRD4DRD3
SCHEMBL5328099 0.77 GRM2 (0.51) GRM2
SCHEMBL4892766 0.76 GRM2 (0.78) GRM2DRD2DRD4DRD3
SCHEMBL4892780 0.76 GRM2 (0.78) GRM2DRD2DRD4DRD3
SCHEMBL4892776 0.76 GRM2 (0.78) GRM2DRD2DRD4DRD3
SCHEMBL23719405 0.75 GRM2 (1.00) GRM2DRD2DRD4
SCHEMBL23719406 0.73 GRM2 (1.00) GRM2DRD2DRD4
SCHEMBL5326163 0.72 GRM2 (0.47) GRM2

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-2021155196-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 THE GENERAL HOSPITAL CORPORATION (US) 2021-08-05 WO disclosed