SCHEMBL3358037

SCHEMBL3358037

Nc1ccc2c(Cl)cn(CCN3CCCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SIGMAR1 Q99720 3/20 0.37
ACHE P22303 2/20 0.37
TMEM97 Q5BJF2 1/20 0.36
CNR2 P34972 4/20 0.36
LTA4H P09960 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR7 P34969 1/20 0.35
DRD2 P14416 1/20 0.35
CNR1 P21554 3/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCHE P06276 1/20 0.35
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13537296 0.80 PDE4A (0.37) SIGMAR1CNR2CNR1
SCHEMBL3353415 0.78 HTR7 (0.51) ALDH1A1SIGMAR1CNR2LTA4HPTGS1
SCHEMBL3357970 0.77 NR1H2 (0.47) ALDH1A1POLBACHEHTR7TDP1
SCHEMBL3351946 0.75 DYRK1A (0.38) CNR2CNR1
SCHEMBL6069194 0.73 BCHE (0.46) ALDH1A1POLBSIGMAR1ACHECNR2
SCHEMBL1122373 0.72 HTR7 (0.57) HTR7
SCHEMBL12253689 0.71 HTR7 (0.56) HTR7
SCHEMBL27527082 0.70 CYP3A4 (0.41) ALDH1A1POLBHTT
SCHEMBL3352914 0.70 HSD17B10 (0.51) POLBACHELTA4HPTGS1PTGS2
SCHEMBL215782 0.69 HTR7 (0.56) HTR7

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