SCHEMBL27771121

SCHEMBL27771121

NCc1ccccc1C=CCS(=O)(=O)n1ccc2c(Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ HTR1D P28221 2/20 0.42
▸ HTR1B P28222 2/20 0.42
▸ HTR1F P30939 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL27750251 0.87 HTR6 (0.42) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL28777649 0.82 HTR6 (0.36) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27771220 0.80 HTR6 (0.58) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27771129 0.80 HTR6 (0.58) HTR6CYP3A4CYP2D6
SCHEMBL27771126 0.73 CYP2D6 (0.36) CYP3A4CYP2D6HDAC3HDAC4HDAC1
SCHEMBL27750240 0.72 FBP1 (0.38) HTR6
SCHEMBL28777480 0.71 HDAC3 (0.36) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27771123 0.70 HTR6 (0.39) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27771342 0.65 HDAC3 (0.36) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL30559967 0.65 HTR6 (0.63) 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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