SCHEMBL9283602

SCHEMBL9283602

O=S1(=O)N2[C]CCc3cccc(c32)N1CCCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL9726206 0.76 HTR2A (0.62) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL9726221 0.72 HTR2A (0.64) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL7793840 0.68 HTR2A (0.59) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL8317165 0.65 SLC6A2 (0.39) DRD2RORCKDM4ESLC6A4DRD4
SCHEMBL11600141 0.62 ALDH1A1 (0.42) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL8316696 0.62 SLC6A2 (0.38) DRD2RORCKDM4ESLC6A4DRD4
SCHEMBL9278725 0.61 CA12 (0.37)
SCHEMBL3749292 0.59 HTR2A (0.68) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL3287539 0.58 SLC6A2 (0.70) SLC6A4
SCHEMBL4239662 0.58 SLC6A2 (0.43) HTR2ADRD2HTR1AHTR7HTR6

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-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 EP disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed