SCHEMBL7465991

SCHEMBL7465991

O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.88
HTR1D P28221 6/20 0.88
HTR1B P28222 6/20 0.88
HTR1A P08908 5/20 0.88
HTR2A P28223 2/20 0.88
HTR7 P34969 2/20 0.70
DRD3 P35462 1/20 0.70
HTR2C P28335 2/20 0.59
HTR2B P41595 1/20 0.59
NCF1 P14598 2/20 0.55
ADRB2 P07550 1/20 0.55

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
SCHEMBL3947189 0.89 HTR6 (1.00) HTR6HTR1DHTR1BHTR1AHTR2A
SCHEMBL3949519 0.87 HTR6 (1.00) HTR6HTR1DHTR1BHTR1AHTR2A
SCHEMBL3947299 0.87 HTR6 (1.00) HTR6HTR1DHTR1BHTR1AHTR2A
SCHEMBL3946584 0.83 HTR6 (0.72) HTR6HTR1DHTR1BHTR1AHTR2A
SCHEMBL1776854 0.82 HTR6 (0.64) HTR6HTR1DHTR1BHTR1AHTR2A
Hydrochloric Acid SCHEMBL1776286 0.81 HTR6 (0.63) HTR6HTR1DHTR1BHTR1AHTR2A
SCHEMBL6829584 0.81 HTR6 (0.65) HTR6HTR1DHTR1BHTR1AHTR2A
SCHEMBL3948620 0.79 HTR6 (1.00) HTR6HTR1DHTR1BHTR1AHTR2A
SCHEMBL3617129 0.77 HTR6 (0.64) HTR6HTR1DHTR1BHTR1AHTR2A
SCHEMBL3952668 0.77 HTR6 (0.63) HTR6HTR1DHTR1BHTR1AHTR2A

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
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed