SCHEMBL8201901

SCHEMBL8201901

C=CCOCc1ccc(-c2ccc(CN3CC4(CCCCC4)CC3=O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
AGTR1 P30556 2/20 0.32
AGTR2 P50052 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ENPP2 Q13822 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL3063022 0.81 GRM2 (0.45) HRH3
SCHEMBL8201966 0.80 HRH3 (0.42) HRH3AGTR1AGTR2L3MBTL1ENPP2
SCHEMBL8210234 0.77 SLC34A2 (0.36) HRH3AGTR1AGTR2L3MBTL1
SCHEMBL3070704 0.73 GRM2 (0.41)
SCHEMBL3067966 0.70 GRM2 (0.46) HRH3
SCHEMBL4778780 0.67 TSHR (0.42) L3MBTL1
SCHEMBL8727939 0.66 ALDH1A1 (0.46)
SCHEMBL709135 0.66 ESR1 (0.42)
SCHEMBL8730874 0.66 ALDH1A1 (0.46)
SCHEMBL1728235 0.65 HTR1A (0.40) HTR1AADRA1AADRA1B

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