SCHEMBL3372293

SCHEMBL3372293

CC(C)N1CC(COc2ccccc2)OC1=O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.63
MAPK1 P28482 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HRH3 Q9Y5N1 1/20 0.53
HTR2B P41595 1/20 0.53
TDP1 Q9NUW8 1/20 0.47

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 0.88 GRM2 (0.62) GRM2MAPK1L3MBTL1HRH3HTR2B
SCHEMBL24933695 0.86 GRM2 (0.51) GRM2MAPK1L3MBTL1HRH3HTR2B
SCHEMBL11161832 0.84 GRM2 (0.50) GRM2MAPK1L3MBTL1HRH3HTR2B
SCHEMBL7909523 0.84 GRM2 (0.49) GRM2MAPK1L3MBTL1HRH3HTR2B
SCHEMBL11875374 0.83 HTR2B (0.47) GRM2MAPK1L3MBTL1HRH3HTR2B
SCHEMBL9636582 0.81 GRM2 (0.47) GRM2MAPK1L3MBTL1HTR2BTDP1
SCHEMBL9636573 0.81 GRM2 (0.47) GRM2MAPK1L3MBTL1HTR2BTDP1
SCHEMBL9752599 0.81 LMNA (0.51) GRM2MAPK1L3MBTL1HTR2B
SCHEMBL11154145 0.81 GRM2 (0.46) GRM2MAPK1L3MBTL1HTR2B
SCHEMBL7911772 0.80 HTR2B (0.50) GRM2MAPK1L3MBTL1HTR2B

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 3 patents. 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
WO-2010061366-A1 MANUFACTURE OF BISOPROLOL AND INTERMEDIATES THEREFOR CORDEN PHARMA IP LIMITED (IE) 2010-06-03 WO disclosed
EP-0086403-A2 2-Oxazolidine-ones MERCK PATENT GmbH (DE) 1983-08-24 EP disclosed