SCHEMBL8715212

SCHEMBL8715212

CNS(=O)(=O)Cc1cn(CCN(C)C)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.62
CNR2 P34972 1/20 0.47
DNM2 P50570 4/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL3328890 0.77 HTR6 (1.00) HTR6CNR2DNM2
SCHEMBL20307301 0.76 HTR6 (0.81) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL8894062 0.75 HTR6 (0.67) HTR6CNR2
SCHEMBL11831641 0.75 HTR6 (0.63) HTR6CNR2DNM2
SCHEMBL8758275 0.74 HTR6 (0.67) HTR6CNR2DNM2
SCHEMBL12558496 0.72 HTR6 (0.74) HTR6DNM2
SCHEMBL25474397 0.72 DNM2 (0.68) HTR6DNM2
SCHEMBL11829545 0.72 HTR6 (0.63) HTR6CNR2DNM2
SCHEMBL9765127 0.72 HTR6 (0.61) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL31544897 0.70 HTR6 (0.71) HTR6DNM2

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
US-5705506-A TREATMENT OF MIGRAINES OR HEADACHES LABORATOIRES GLAXO SA (FR) 1998-01-06 US disclosed