SCHEMBL3355352

SCHEMBL3355352

Cn1cc(CCN2CCCCC2)c2cc(N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
HTR1D P28221 1/20 0.47
HTR6 P50406 3/20 0.44
HTR2A P28223 3/20 0.43
GAA P10253 1/20 0.41
ACHE P22303 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
BCHE P06276 2/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL3355548 0.99 HTR1D (0.48) ADRB2HTR1DHTR6HTR2AGAA
SCHEMBL3356705 0.89 HTR1D (0.47) ADRB2HTR1DHTR6HTR2ASIGMAR1
SCHEMBL2075509 0.87 HTR2A (0.44) ADRB2HTR1DHTR6HTR2AGAA
SCHEMBL3350921 0.87 ACHE (0.50) ADRB2HTR1DACHE
SCHEMBL3354205 0.86 LMNA (0.46) ADRB2HTR1DHTR6HTR2ASIGMAR1
SCHEMBL3353571 0.86 ACHE (0.51) ADRB2HTR1DGAAACHE
SCHEMBL3320875 0.81 HTR1D (0.68) ADRB2HTR1DHTR6HTR2A
SCHEMBL13537252 0.80 HTR6 (0.44) ADRB2HTR1DHTR6HTR2AGAA
SCHEMBL32669268 0.80 ADRB2 (0.67) ADRB2HTR6HTR2AHRH3
SCHEMBL13537395 0.78 HTR6 (0.43) ADRB2HTR1DHTR6HTR2AGAA

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