SCHEMBL3353063

SCHEMBL3353063

CN(C)C(=O)CN1CCC(n2ccc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
SRC P12931 2/20 0.38
ABL2 P42684 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
LCK P06239 1/20 0.38
CCR5 P51681 2/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 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
SCHEMBL3355827 0.86 HTR7 (0.42) HTR7L3MBTL1ALDH1A1CYP2D6CYP2C9
SCHEMBL3354706 0.85 ALDH1A1 (0.44) HTR7L3MBTL1ALDH1A1CYP2D6CYP2C9
SCHEMBL3354101 0.85 L3MBTL1 (0.48) HTR7L3MBTL1ALDH1A1CYP2D6CYP2C9
SCHEMBL3358021 0.83 HTR7 (0.47) HTR7ALDH1A1DRD2SLC6A4HTR1A
SCHEMBL3354906 0.83 ABL1 (0.44) HTR7DRD2SLC6A4ABL1EGFR
SCHEMBL3354104 0.81 DRD2 (0.60) HTR7ALDH1A1CYP2D6DRD2SLC6A4
SCHEMBL13537340 0.81 DRD2 (0.40) HTR7DRD2SLC6A4ABL1EGFR
SCHEMBL7805956 0.80 KDM4E (0.52) L3MBTL1ALDH1A1KDM4ELMNAMEN1
SCHEMBL3353280 0.80 HTR7 (0.53) HTR7DRD2SLC6A4HTR1AHTR1D
SCHEMBL3354826 0.79 HTR7 (0.48) HTR7ALDH1A1CYP2D6DRD2SLC6A4

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