SCHEMBL14067976

SCHEMBL14067976

CCOC(=O)CCn1c2c(c3cc(C)ccc31)CN(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.48
HRH1 P35367 4/20 0.48
ADRA2A P08913 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR7 P34969 2/20 0.48
ADRA1A P35348 2/20 0.48
DRD2 P14416 1/20 0.48
PTGDR2 Q9Y5Y4 5/20 0.47
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
PTGDR Q13258 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 2/20 0.42

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
SCHEMBL14067838 0.91 GRIN2B (0.49) HTR6HRH1PTGDR2GRIN2BPTGDR
SCHEMBL14067989 0.91 HTR6 (0.50) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL14067978 0.91 KDM4E (0.48) HTR6PTGDR2GRIN2DGRIN3BGRIN1
SCHEMBL14067835 0.86 HTR6 (0.47) HTR6HRH1PTGDR2GRIN2B
SCHEMBL10127773 0.86 HSD17B10 (0.52) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL14067981 0.84 TBXA2R (0.50) PTGDR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3318769 0.83 HTR6 (0.62) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL14067949 0.81 BAZ2B (0.52) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL8034825 0.81 HTR6 (0.69) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL14067648 0.80 GRIN2B (0.49) HTR6HRH1ADRA2AHTR2AHTR2C

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-2008115098-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND THE USE THEREOF ALLA CHEM, LLC (US) 2008-09-25 WO disclosed