SCHEMBL1776227

SCHEMBL1776227

O=S(=O)(c1ccc2nccc(N3CCNCC3)c2c1)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.56
HTR1A P08908 3/20 0.56
HTR1D P28221 3/20 0.56
HTR1B P28222 3/20 0.56
HTR2A P28223 2/20 0.56
NCF1 P14598 5/20 0.54
ADRB2 P07550 2/20 0.54
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49

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
Hydrochloric Acid SCHEMBL1776013 0.99 HTR6 (0.56) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1775825 0.86 HTR6 (0.63) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1776854 0.85 HTR6 (0.64) HTR6HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1773868 0.85 HTR6 (0.62) HTR6HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1776286 0.84 HTR6 (0.63) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1777254 0.83 HTR6 (0.62) HTR6HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1777537 0.82 HTR6 (0.61) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1774911 0.80 HTR6 (0.62) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1776431 0.80 HTR6 (0.73) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1774985 0.79 HTR6 (0.66) HTR6HTR1AHTR1DHTR1BHTR2A

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
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US claimed