SCHEMBL3354826

SCHEMBL3354826

COCCN1CCC(n2ccc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.48
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
LTA4H P09960 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL3354104 0.88 DRD2 (0.60) HTR7DRD2SLC6A4HTR1AHTR1D
SCHEMBL3358021 0.85 HTR7 (0.47) HTR7DRD2SLC6A4HTR1AHTR1D
SCHEMBL3353280 0.84 HTR7 (0.53) HTR7DRD2SLC6A4HTR1AHTR1D
SCHEMBL3354706 0.83 ALDH1A1 (0.44) HTR7DRD2SLC6A4HTR1AHTR1D
SCHEMBL3358927 0.81 DRD2 (0.50) HTR7DRD2SLC6A4HTR1AHTR1D
SCHEMBL7805698 0.80 HTR7 (0.45) HTR7DRD2SLC6A4ALDH1A1OPRM1
SCHEMBL13537339 0.80 DRD2 (0.47) HTR7DRD2SLC6A4HTR1AHTR1D
SCHEMBL12253684 0.80 HTR7 (0.55) HTR7DRD2SLC6A4HTR1AHTR1D
SCHEMBL7798214 0.79 ACHE (0.59) DRD2MEN1KMT2AACHE
SCHEMBL3355827 0.79 HTR7 (0.42) 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