SCHEMBL3354101

SCHEMBL3354101

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SCD O00767 1/20 0.44
DRD4 P21917 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR7 P34969 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40

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 0.88 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL3355827 0.86 HTR7 (0.42) L3MBTL1ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL3353063 0.85 HTR7 (0.42) L3MBTL1ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL3358021 0.83 HTR7 (0.47) ALDH1A1MEN1PKMKMT2AHTR7
SCHEMBL3352191 0.83 SCD (0.47) SCDHTR7HTR1AHTR1DHTR1B
SCHEMBL3354104 0.81 DRD2 (0.60) ALDH1A1CYP2D6SCDMEN1PKM
SCHEMBL13537407 0.81 SCD (0.45) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL3353280 0.80 HTR7 (0.53) PKMHTR7HTR1AHTR1DHTR1B
SCHEMBL3354826 0.79 HTR7 (0.48) ALDH1A1CYP2D6MEN1KMT2AHTR7
SCHEMBL7805698 0.78 HTR7 (0.45) ALDH1A1CYP2C19DRD4PKMHTR7

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