SCHEMBL3356566

SCHEMBL3356566

CCCN1CCC(n2ncc3cc(N)ccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.48
HTR7 P34969 5/20 0.48
KCNH2 Q12809 3/20 0.48
DRD2 P14416 8/20 0.48
GPR119 Q8TDV5 2/20 0.43
SLC6A4 P31645 6/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
CSNK1A1 P48729 1/20 0.40
GSK3A P49840 1/20 0.40
LIMK1 P53667 1/20 0.40
IKBKE Q14164 1/20 0.40
MAPK14 Q16539 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 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
SCHEMBL3354280 0.90 DRD2 (0.42) HTR2AHTR7KCNH2DRD2GPR119
SCHEMBL3352334 0.90 HTR2A (0.45) HTR2AHTR7KCNH2DRD2GPR119
SCHEMBL3358945 0.85 ALOX15 (0.52) HTR2AHTR7KCNH2DRD2GPR119
SCHEMBL13537314 0.83 HTR2A (0.49) HTR2AHTR7KCNH2DRD2GPR119
SCHEMBL14923489 0.82 CHEK1 (0.47) HTR2AHTR7KCNH2DRD2GPR119
SCHEMBL3350441 0.80 GLS (0.48) HTR2AHTR7KCNH2DRD2GPR119
SCHEMBL3353482 0.80 CHEK1 (0.42) HTR2AHTR7KCNH2DRD2GPR119
SCHEMBL30271240 0.80 CHEK1 (0.42) HTR2AHTR7KCNH2DRD2GPR119
SCHEMBL3351511 0.80 HTR1A (0.41) HTR2AHTR7KCNH2DRD2GPR119
SCHEMBL29200978 0.78 KDM4E (0.49) GPR119ROCK1CHEK1AURKADAPK3

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