SCHEMBL27750196

SCHEMBL27750196

C=CC(c1ccccc1CN)S(=O)(=O)n1ccc2c(CN(C)C)cccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.42
▸ HTR1A P08908 3/20 0.42
▸ HTR1D P28221 3/20 0.42
▸ HTR1B P28222 3/20 0.42
▸ HTR1F P30939 3/20 0.42
▸ HTR7 P34969 3/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34

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
SCHEMBL27750252 0.84 HTR6 (0.39) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27771123 0.84 HTR6 (0.39) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27771130 0.82 HTR6 (0.57) HTR6CYP3A4CYP2D6
SCHEMBL27771221 0.80 HTR6 (0.57) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27750201 0.78 HTR6 (0.39) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27771328 0.77 HTR6 (0.38) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3622409 0.70 HTR6 (0.77) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27750248 0.69 HTR6 (0.59) HTR6CYP3A4CYP2D6
SCHEMBL3617435 0.68 HTR6 (0.55) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL28777481 0.68 HDAC3 (0.35) HTR6HTR1AHTR1DHTR1BHTR1F

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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