SCHEMBL3355552

SCHEMBL3355552

NC(=O)CN1CCC(n2ccc3ccc(N)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
ABL1 P00519 3/20 0.40
EGFR P00533 3/20 0.40
SRC P12931 3/20 0.40
ABL2 P42684 3/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
LCK P06239 1/20 0.40
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
SCD O00767 3/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 0.37
KCNH2 Q12809 1/20 0.37
NOS2 P35228 1/20 0.36
MTOR P42345 1/20 0.36
RORC P51449 1/20 0.34

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
SCHEMBL3357844 0.86 ABL1 (0.44) DRD2SLC6A4ABL1EGFRSRC
SCHEMBL3354906 0.86 ABL1 (0.44) DRD2SLC6A4ABL1EGFRSRC
SCHEMBL3352191 0.86 SCD (0.47) DRD2SLC6A4HTR1AHTR1DHTR1B
SCHEMBL13537514 0.84 NOS3 (0.43) DRD2SLC6A4ABL1EGFRSRC
SCHEMBL3355827 0.82 HTR7 (0.42) DRD2SLC6A4HTR1AHTR1DHTR1B
SCHEMBL3355691 0.82 DRD2 (0.52) DRD2SLC6A4HTR1AHTR1DHTR1B
SCHEMBL3358885 0.80 DRD2 (0.67) DRD2SLC6A4HTR1AHTR1DHTR1B
SCHEMBL7806905 0.78 DRD2 (0.53) DRD2SLC6A4
SCHEMBL3352865 0.77 HTR1D (0.51) DRD2SLC6A4HTR1AHTR1DHTR1B
SCHEMBL3358927 0.77 DRD2 (0.50) DRD2SLC6A4HTR1AHTR1DHTR1B

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