SCHEMBL3348930

SCHEMBL3348930

CN(C)CCc1cn(C)c2ccc(N)cc12

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.66
HTR1D P28221 3/20 0.50
ADRB2 P07550 1/20 0.50
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 1/20 0.47
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL3352349 0.85 HTR6 (0.50) HTR6HTR1DADRB2HTR2AHTR2C
SCHEMBL3353042 0.84 HTR6 (0.47) HTR6HTR1DADRB2HTR2AHTR2C
SCHEMBL3320875 0.84 HTR1D (0.68) HTR6HTR1DADRB2HTR2AHTR2C
SCHEMBL2758324 0.79 HTR1D (0.70) HTR6HTR1DADRB2HTR2AHTR2C
SCHEMBL20307221 0.79 HTR6 (1.00) HTR6HTR1DADRB2HTR1AHTR1B
SCHEMBL3872427 0.79 MTNR1A (0.55) HTR6HTR1DHTR1AHTR1BHTR1F
SCHEMBL9400590 0.79 ADRB2 (0.49) HTR6HTR1DADRB2HTR2A
SCHEMBL3323916 0.79 ADRB2 (0.50) HTR6HTR1DADRB2HTR2A
SCHEMBL13537251 0.78 HTR6 (0.61) HTR6HTR1DADRB2HTR2AHTR2C
SCHEMBL12850609 0.78 HTR2A (0.65) HTR6HTR1DHTR2AHTR2CHTR2B

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