SCHEMBL7909523

SCHEMBL7909523

CC(C)N1CC(COc2ccc(C=O)cc2)OC1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.49
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2B P41595 1/20 0.41
MIF P14174 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALDH1A3 P47895 1/20 0.38

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
SCHEMBL11160325 0.86 GRM2 (0.62) GRM2MAPK1L3MBTL1HTR2BHRH3
SCHEMBL24933695 0.85 GRM2 (0.51) GRM2MAPK1L3MBTL1HTR2BHRH3
SCHEMBL3372293 0.84 GRM2 (0.63) GRM2MAPK1L3MBTL1HTR2BHRH3
SCHEMBL11161832 0.82 GRM2 (0.50) GRM2MAPK1L3MBTL1HTR2BHRH3
SCHEMBL9636582 0.80 GRM2 (0.47) GRM2MAPK1L3MBTL1HTR2B
SCHEMBL9636573 0.80 GRM2 (0.47) GRM2MAPK1L3MBTL1HTR2B
SCHEMBL8120087 0.80 GRM2 (0.67) GRM2
SCHEMBL11154145 0.79 GRM2 (0.46) GRM2MAPK1L3MBTL1HTR2B
SCHEMBL10662236 0.78 GRM2 (0.40) GRM2MAPK1L3MBTL1HTR2B
SCHEMBL8104770 0.77 GRM2 (0.74) 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-2010061366-A1 MANUFACTURE OF BISOPROLOL AND INTERMEDIATES THEREFOR CORDEN PHARMA IP LIMITED (IE) 2010-06-03 WO disclosed