SCHEMBL3350441

SCHEMBL3350441

CCCN1CCC(n2ncc3cc([N+](=O)[O-])ccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.48
HTR2A P28223 6/20 0.47
HTR7 P34969 5/20 0.47
KCNH2 Q12809 3/20 0.47
DRD2 P14416 5/20 0.46
LMNA P02545 3/20 0.44
GPR119 Q8TDV5 3/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.41
KDM2B Q8NHM5 1/20 0.39
SLC6A4 P31645 3/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD3 P35462 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
SCHEMBL3349251 0.91 LMNA (0.44) GLSHTR2AHTR7KCNH2DRD2
SCHEMBL3355498 0.91 GLS (0.47) GLSHTR2AHTR7KCNH2DRD2
SCHEMBL29377201 0.87 GLS (0.50) GLSHTR2AHTR7KCNH2GPR119
SCHEMBL3355202 0.87 GLS (0.50) GLSHTR2AHTR7KCNH2GPR119
SCHEMBL14910335 0.84 GLS (0.53) GLSGPR119ALDH1A1SLC6A4
SCHEMBL31304459 0.84 GLS (0.53) GLSGPR119ALDH1A1SLC6A4
SCHEMBL15910780 0.82 GLS (0.51) GLSLMNAALDH1A1PKMSLC6A4
SCHEMBL3356648 0.82 GLS (0.44) GLSHTR2AHTR7KCNH2DRD2
SCHEMBL3352833 0.82 MAPT (0.45) GLSHTR2AHTR7KCNH2LMNA
SCHEMBL3357246 0.81 MAPT (0.51) GLSLMNAGPR119ALDH1A1KMT2A

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