SCHEMBL3355827

SCHEMBL3355827

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CDYL2 Q8N8U2 1/20 0.39
CDYL Q9Y232 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CDC7 O00311 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL3354706 0.86 ALDH1A1 (0.44) HTR7L3MBTL1ALDH1A1CYP2D6CYP2C9
SCHEMBL3353063 0.86 HTR7 (0.42) HTR7L3MBTL1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL3354101 0.86 L3MBTL1 (0.48) HTR7L3MBTL1ALDH1A1CYP2D6CYP2C9
SCHEMBL3358021 0.84 HTR7 (0.47) HTR7ALDH1A1SMN1; SMN2DRD2SLC6A4
SCHEMBL3355552 0.82 DRD2 (0.42) HTR7DRD2SLC6A4HTR1AHTR1D
SCHEMBL3354104 0.82 DRD2 (0.60) HTR7ALDH1A1CYP2D6DRD2SLC6A4
SCHEMBL7805698 0.81 HTR7 (0.45) HTR7ALDH1A1SMN1; SMN2CYP2C19DRD2
SCHEMBL7798214 0.80 ACHE (0.59) DRD2ACHEDRD4
SCHEMBL3353280 0.80 HTR7 (0.53) HTR7DRD2SLC6A4CDC7HTR1A
SCHEMBL13537514 0.80 NOS3 (0.43) HTR7DRD2SLC6A4HTR1AHTR1D

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