SCHEMBL6651572

SCHEMBL6651572

O=S(=O)(Nc1cc(Cl)c2c(c1)CCCNC2)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.52
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PNMT P11086 2/20 0.44
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
IL1RN P18510 1/20 0.41
KEAP1 Q14145 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PGR P06401 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL5780409 0.84 HTR6 (0.66) HTR6ALDH1A1GAAPKMALOX15
SCHEMBL3353772 0.74 HTR6 (0.62) HTR6ALDH1A1PNMTHTR2CHTR2B
SCHEMBL7452220 0.72 HTR6 (0.84) HTR6ALDH1A1PNMTHTR2CHTR2B
SCHEMBL10357482 0.72 HTR6 (0.84) HTR6ALDH1A1PKMPNMTHTR2C
SCHEMBL5778392 0.72 HTR6 (0.66) HTR6ALDH1A1PKMPNMTHTR2C
SCHEMBL3355243 0.71 PNMT (0.63) HTR6ALDH1A1PKMPNMTHTR2C
SCHEMBL29985647 0.71 GAA (0.65) HTR6ALDH1A1GAAPKMALOX15
SCHEMBL6984820 0.71 HTR6 (0.61) HTR6ALDH1A1GAAPKMIL1RN
Hydrochloric Acid SCHEMBL10563577 0.71 HTR6 (0.82) HTR6ALDH1A1PNMTHTR2CHTR2B
SCHEMBL3353641 0.70 PNMT (0.52) HTR6ALDH1A1GAAPNMTHTR2C

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-1487801-A1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-22 EP claimed
WO-2003068751-A1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO'DIAZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE REATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2003-08-21 WO claimed