SCHEMBL3353042

SCHEMBL3353042

CN(C)Cc1cn(C)c2ccc(N)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.47
ADRB2 P07550 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2A P28223 3/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.41
HASPIN Q8TF76 5/20 0.39
GPR84 Q9NQS5 1/20 0.39
PRKCI P41743 1/20 0.39
ICMT O60725 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HBB P68871 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
SCHEMBL3353333 0.87 HTR6 (0.46) HTR6ADRB2HTR1DHTR2AHTR2C
SCHEMBL3348930 0.84 HTR6 (0.66) HTR6ADRB2HTR1DHTR2AHTR2C
SCHEMBL9400590 0.81 ADRB2 (0.49) HTR6ADRB2HTR1DHTR2AKCNH2
SCHEMBL2381934 0.81 HTR6 (0.47) HTR6ADRB2HTR1DHTR2AHTR2C
SCHEMBL3320875 0.80 HTR1D (0.68) HTR6ADRB2HTR1DHTR2AHTR2C
SCHEMBL9060813 0.77 HTR2A (0.43) HTR6HTR2AHTR2CHTR2BKCNH2
SCHEMBL10577553 0.76 ADRB2 (0.44) HTR6ADRB2HTR1DHTR2AGPR84
SCHEMBL10261961 0.76 GPR84 (0.67) HTR6HTR2AHTR2CHTR2BGPR84
SCHEMBL3352349 0.76 HTR6 (0.50) HTR6ADRB2HTR1DHTR2AHTR2C
SCHEMBL3323916 0.75 ADRB2 (0.50) HTR6ADRB2HTR1DHTR2AGPR84

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