SCHEMBL3355548

SCHEMBL3355548

Cn1cc(CCN2CCCC2)c2cc(N)ccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.48
ADRB2 P07550 1/20 0.48
HTR2A P28223 1/20 0.44
HTR6 P50406 3/20 0.43
GAA P10253 1/20 0.42
ACHE P22303 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
BCHE P06276 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTR1B P28222 3/20 0.39

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
SCHEMBL3355352 0.99 ADRB2 (0.47) HTR1DADRB2HTR2AHTR6GAA
SCHEMBL3356705 0.90 HTR1D (0.47) HTR1DADRB2HTR2AHTR6SIGMAR1
SCHEMBL2075509 0.89 HTR2A (0.44) HTR1DADRB2HTR2AHTR6GAA
SCHEMBL3354205 0.88 LMNA (0.46) HTR1DADRB2HTR2AHTR6SIGMAR1
SCHEMBL3353571 0.87 ACHE (0.51) HTR1DADRB2GAAACHE
SCHEMBL3350921 0.86 ACHE (0.50) HTR1DADRB2ACHE
SCHEMBL3320875 0.82 HTR1D (0.68) HTR1DADRB2HTR2AHTR6
SCHEMBL32669268 0.81 ADRB2 (0.67) ADRB2HTR2AHTR6HRH3
SCHEMBL13537395 0.80 HTR6 (0.43) HTR1DADRB2HTR2AHTR6GAA
SCHEMBL13537252 0.79 HTR6 (0.44) HTR1DADRB2HTR2AHTR6GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed