SCHEMBL8202227

SCHEMBL8202227

CNCCNCc1ccccc1-c1ccc(CN2CC3(CCCCC3)OC2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.39
MLNR O43193 1/20 0.36
AGTR1 P30556 5/20 0.35
TACR2 P21452 1/20 0.34
TACR1 P25103 1/20 0.34
AGTR2 P50052 3/20 0.34
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
EDNRA P25101 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR2B P41595 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC10A1 Q14973 1/20 0.33
LTB4R2 Q9NPC1 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
SCHEMBL8209807 0.90 GRM2 (0.39) GRM2MLNRAGTR1TACR2TACR1
SCHEMBL3068893 0.81 GRM2 (0.44) GRM2TACR2TACR1
SCHEMBL3067246 0.81 ITGB1 (0.43) GRM2TACR2TACR1
SCHEMBL3068774 0.80 GRM2 (0.47) GRM2MLNRAGTR1TACR2TACR1
SCHEMBL3081725 0.80 GRM2 (0.47) GRM2TACR2TACR1
SCHEMBL3070726 0.79 CXCR4 (0.43) GRM2MLNRTACR2TACR1
SCHEMBL3057908 0.78 GRM2 (0.53) GRM2TACR2TACR1
SCHEMBL3068599 0.77 GRM2 (0.49) GRM2MLNRTACR2TACR1CYP3A4
SCHEMBL3073111 0.77 GRM2 (0.50) GRM2TACR2TACR1
SCHEMBL8210112 0.75 GRM2 (0.45) 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-2008032191-A2 SPIRO-OXAZOLIDINONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (US) 2008-03-20 WO disclosed