SCHEMBL27771123

SCHEMBL27771123

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ HTR1D P28221 2/20 0.39
▸ HTR1B P28222 2/20 0.39
▸ HTR1F P30939 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ DRD2 P14416 1/20 0.33
▸ OPRM1 P35372 2/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31

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
SCHEMBL28777651 0.83 HTR6 (0.34) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL28777481 0.70 HDAC3 (0.35) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL28746133 0.67 ALDH1A1 (0.44) HTR6CYP3A4
SCHEMBL28777649 0.65 HTR6 (0.36) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL17394039 0.64 HTR6 (0.63) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL30559967 0.64 HTR6 (0.63) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL30644286 0.64 HTR6 (0.68) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL260867 0.64 HTR6 (0.68) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3611374 0.63 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL3624923 0.62 HTR6 (0.78) 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 1 patent. 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 disclosed
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