SCHEMBL8227474

SCHEMBL8227474

Cc1cccc(CCCC2CCN(Cc3nc4ccccc4n3C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.54
DRD2 P14416 8/20 0.54
DRD4 P21917 6/20 0.54
DRD3 P35462 5/20 0.54
ALDH1A1 P00352 2/20 0.50
ALDH1A2 O94788 1/20 0.50
ALDH2 P05091 1/20 0.50
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48

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
SCHEMBL13777211 0.90 GRM2 (0.64) GRM2DRD2DRD4DRD3LMNA
SCHEMBL4155805 0.87 DRD2 (0.54) GRM2DRD2DRD4DRD3LMNA
SCHEMBL4154874 0.87 GRM2 (0.50) GRM2DRD2DRD4DRD3ALDH1A1
SCHEMBL4138733 0.87 GRM2 (0.50) GRM2DRD2DRD4DRD3ALDH1A1
SCHEMBL4149011 0.87 GRM2 (0.51) GRM2DRD2DRD4DRD3KDM4E
SCHEMBL4152111 0.84 GRM2 (0.58) GRM2DRD2DRD4DRD3
SCHEMBL4142354 0.82 LMNA (0.61) GRM2DRD2DRD4DRD3LMNA
SCHEMBL4157977 0.80 GRM2 (0.61) GRM2DRD2DRD4DRD3
SCHEMBL4162244 0.80 GRM2 (0.53) GRM2DRD2DRD4DRD3LMNA
SCHEMBL4149712 0.80 GRM2 (0.53) GRM2DRD2DRD4DRD3LMNA

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-2007115077-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed