SCHEMBL7187902

SCHEMBL7187902

NCC(O)c1cccc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.61
HTR1A P08908 3/20 0.61
HTR1D P28221 2/20 0.61
HTR1B P28222 2/20 0.61
HTR1F P30939 2/20 0.61
HTR7 P34969 2/20 0.61
DRD3 P35462 2/20 0.61
DRD2 P14416 2/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL3622437 0.84 HTR6 (0.63) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3612612 0.81 HTR6 (0.59) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL13120192 0.81 HTR6 (0.59) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL4783302 0.81 HTR6 (0.62) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27642787 0.80 HTR6 (0.58) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3622212 0.78 HTR6 (0.59) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3611374 0.78 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL3624923 0.77 HTR6 (0.78) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL13120194 0.76 HTR6 (0.64) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3624867 0.76 HTR6 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353904-A1 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-22 EP disclosed
WO-2002059088-A1 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-08-01 WO disclosed