SCHEMBL27771328

SCHEMBL27771328

C=CC(c1cccc(C(F)(F)F)c1)S(=O)(=O)n1ccc2c(CN(C)C)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR1F P30939 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ NR1D1 P20393 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL27750242 0.82 HTR6 (0.35) HTR6SLC6A2SLC6A4
SCHEMBL27750239 0.82 HTR6 (0.35) HTR6SLC6A2SLC6A4HDAC1HDAC2
SCHEMBL27771228 0.81 HTR6 (0.52) HTR6SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL27750201 0.81 HTR6 (0.39) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3620066 0.78 HTR6 (0.56) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL27750196 0.77 HTR6 (0.42) HTR6HTR1ADRD2HTR1DHTR1B
Trifluoroacetic Acid SCHEMBL3625968 0.73 HTR6 (0.53) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL27936044 0.70 HTT (0.38) HTR6SLC6A2SLC6A4HDAC1HDAC2
SCHEMBL3626256 0.67 HTR6 (0.50) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL27844705 0.67 ACP3 (0.42) —

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
CN-101484420-A Indoles as 5-HT 6 modulators BIOVITRUM AB PUBL (SE) 2009-07-15 — — CN claimed
CN-101484420-A Indoles as 5-HT 6 modulators BIOVITRUM AB PUBL (SE) 2009-07-15 — — CN disclosed
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