SCHEMBL3354280

SCHEMBL3354280

CCCN1CCC(n2ncc3ccc(N)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
SLC6A4 P31645 5/20 0.42
HTR1A P08908 2/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
HTR2A P28223 6/20 0.42
HTR7 P34969 5/20 0.42
KCNH2 Q12809 3/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
SCD O00767 3/20 0.40
ADRA2A P08913 1/20 0.39
DRD3 P35462 1/20 0.39
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PABPC1 P11940 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
SCHEMBL3356566 0.90 HTR2A (0.48) DRD2SLC6A4HTR1AHTR2AHTR7
SCHEMBL3351511 0.90 HTR1A (0.41) DRD2HTR1AHTR1BHTR1FHTR2A
SCHEMBL3349663 0.85 HTR1B (0.54) HTR1AHTR1BHTR1FSCDALOX15
SCHEMBL3369338 0.82 PIK3CD (0.43) HTR1AHTR1BHTR1FSCD
SCHEMBL13537309 0.82 HTR1A (0.42) DRD2SLC6A4HTR1AHTR1BHTR1F
SCHEMBL3349251 0.80 LMNA (0.44) DRD2SLC6A4HTR1AHTR1BHTR1F
SCHEMBL30778591 0.80 KDM4E (0.43) HTR1AHTR1BHTR1FROCK1SCD
SCHEMBL3352822 0.80 HTR1A (0.41) HTR1AHTR1BHTR1FGPR119SCD
SCHEMBL3352334 0.80 HTR2A (0.45) DRD2HTR2AHTR7KCNH2GPR119
SCHEMBL3351612 0.78 OGFRL1 (0.40) HTR1AHTR1BHTR1FSCD

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