SCHEMBL7097644

SCHEMBL7097644

O=S(=O)(CCCCCCCCCCCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.58
DRD2 P14416 9/20 0.58
HRH1 P35367 4/20 0.58
HRH2 P25021 2/20 0.58
HTR2A P28223 2/20 0.58
HTR2B P41595 2/20 0.58
KCNH2 Q12809 2/20 0.58
USP2 O75604 2/20 0.58
ABCB11 O95342 1/20 0.58
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
DRD4 P21917 1/20 0.58
HTR7 P34969 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRK1 P41145 1/20 0.58
HTR5A P47898 1/20 0.58
HTR6 P50406 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL7098164 1.00 DRD3 (0.58) DRD3DRD2HRH1HRH2HTR2A
SCHEMBL7100743 1.00 DRD3 (0.58) DRD3DRD2HRH1HRH2HTR2A
Hydrochloric Acid SCHEMBL7103056 0.99 DRD3 (0.57) DRD3DRD2HRH1HRH2HTR2A
SCHEMBL7099317 0.96 DRD3 (0.51) DRD3DRD2HRH1HRH2HTR2A
SCHEMBL7098299 0.96 DRD3 (0.51) DRD3DRD2HRH1HRH2HTR2A
SCHEMBL7102250 0.95 DRD3 (0.57) DRD3DRD2HRH1HRH2HTR2A
SCHEMBL7098325 0.95 DRD3 (0.57) DRD3DRD2HRH1HRH2HTR2A
SCHEMBL7097378 0.94 DRD3 (0.57) DRD3DRD2HRH1HRH2HTR2A
SCHEMBL7102358 0.94 DRD3 (0.57) DRD3DRD2HRH1HRH2HTR2A
SCHEMBL7101905 0.85 ACHE (0.50) DRD3DRD2HRH1HTR2ADRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020443-B1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF AZWELL INC (JP) 2003-09-10 EP disclosed
US-6172228-B1 Process for producing piperazinesulfonamide derivatives and salts thereof AZWELL INC. (JP) 2001-01-09 US disclosed
EP-1020443-A1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF Azwell Inc. (JP) 2000-07-19 EP disclosed