SCHEMBL1775909

SCHEMBL1775909

Cc1cc(C(C)(C)C)ccc1S(=O)(=O)c1ccc2nccc(N3CCNCC3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.66
HTR1A P08908 5/20 0.66
HTR1D P28221 5/20 0.66
HTR1B P28222 5/20 0.66
NCF1 P14598 6/20 0.50
HTR2A P28223 2/20 0.49
ADRB2 P07550 3/20 0.47
HTR7 P34969 2/20 0.45
DRD3 P35462 1/20 0.45
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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 SCHEMBL1774737 0.99 HTR6 (0.65) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL1776431 0.90 HTR6 (0.73) HTR6HTR1AHTR1DHTR1BNCF1
Hydrochloric Acid SCHEMBL1775609 0.89 HTR6 (0.72) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL1776645 0.86 HTR6 (0.68) HTR6HTR1AHTR1DHTR1BNCF1
Hydrochloric Acid SCHEMBL1776195 0.85 HTR6 (0.67) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL1775791 0.83 HTR6 (0.59) HTR6HTR1AHTR1DHTR1BNCF1
Hydrochloric Acid SCHEMBL1775070 0.82 HTR6 (0.58) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL1774985 0.81 HTR6 (0.66) HTR6HTR1AHTR1DHTR1BNCF1
Hydrochloric Acid SCHEMBL1775996 0.81 NCF1 (0.61) HTR6HTR1AHTR1DHTR1BNCF1
Hydrochloric Acid SCHEMBL1775184 0.80 HTR6 (0.65) HTR6HTR1AHTR1DHTR1BNCF1

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