SCHEMBL3352822

SCHEMBL3352822

CC(C)N1CCC(n2ncc3ccc(N)cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
SCD O00767 4/20 0.39
PIK3CD O00329 7/20 0.39
KDM5A P29375 1/20 0.37
NR3C1 P04150 1/20 0.37
ALOX15 P16050 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
WNT1 P04628 1/20 0.35
VCP P55072 1/20 0.35

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
SCHEMBL30271240 0.90 CHEK1 (0.42) SCDKDM5ANR3C1ALOX15GPR119
SCHEMBL3353482 0.90 CHEK1 (0.42) SCDKDM5ANR3C1ALOX15GPR119
SCHEMBL3349663 0.85 HTR1B (0.54) HTR1AHTR1BHTR1FSCDPIK3CD
SCHEMBL3369338 0.84 PIK3CD (0.43) HTR1AHTR1BHTR1FSCDPIK3CD
SCHEMBL30778591 0.82 KDM4E (0.43) HTR1AHTR1BHTR1FSCDPIK3CD
SCHEMBL3351511 0.82 HTR1A (0.41) HTR1AHTR1BHTR1FSCDPIK3CD
SCHEMBL3351612 0.80 OGFRL1 (0.40) HTR1AHTR1BHTR1FSCDPIK3CD
SCHEMBL3354280 0.80 DRD2 (0.42) HTR1AHTR1BHTR1FSCDALOX15
SCHEMBL3357810 0.79 ALDH1A1 (0.40) HTR1AHTR1BHTR1FSCDKDM5A
SCHEMBL31482830 0.78 PDE9A (0.39) HTR1AHTR1BHTR1FSCDPIK3CD

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