SCHEMBL8209807

SCHEMBL8209807

NCCNCc1ccccc1-c1ccc(CN2CC3(CCCCC3)OC2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.39
MLNR O43193 1/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
AGTR1 P30556 3/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
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
SCHEMBL8202227 0.90 GRM2 (0.39) GRM2MLNRTACR2TACR1AGTR1
SCHEMBL3057908 0.81 GRM2 (0.53) GRM2TACR2TACR1
SCHEMBL3081725 0.80 GRM2 (0.47) GRM2TACR2TACR1
SCHEMBL3068893 0.80 GRM2 (0.44) GRM2TACR2TACR1
SCHEMBL3070726 0.80 CXCR4 (0.43) GRM2MLNRTACR2TACR1
SCHEMBL3067246 0.80 ITGB1 (0.43) GRM2TACR2TACR1
SCHEMBL3068774 0.78 GRM2 (0.47) GRM2MLNRTACR2TACR1AGTR1
SCHEMBL3073111 0.78 GRM2 (0.50) GRM2TACR2TACR1
SCHEMBL3068599 0.76 GRM2 (0.49) GRM2MLNRTACR2TACR1
SCHEMBL13140370 0.75 GRM2 (0.51) GRM2TACR2TACR1

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