SCHEMBL7103899

SCHEMBL7103899

O=S(=O)(CCCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NCCCO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
ACHE P22303 3/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
DRD3 P35462 2/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 1/20 0.45
ALOX5 P09917 2/20 0.43
HRH1 P35367 2/20 0.43
P2RX7 Q99572 2/20 0.42

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
SCHEMBL7102283 1.00 ADRA1A (0.49) ADRA1AADRA1BACHEDRD2DRD4
SCHEMBL7100693 0.97 ADRA1A (0.48) ADRA1AADRA1BACHEDRD2DRD4
SCHEMBL7102137 0.97 ADRA1A (0.48) ADRA1AADRA1BACHEDRD2DRD4
SCHEMBL7101905 0.95 ACHE (0.50) ADRA1AADRA1BACHEDRD2DRD4
SCHEMBL7101925 0.95 ACHE (0.50) ADRA1AADRA1BACHEDRD2DRD4
SCHEMBL7098325 0.86 DRD3 (0.57) ADRA1ADRD2DRD4HTR2AHTR7
SCHEMBL7102250 0.86 DRD3 (0.57) ADRA1ADRD2DRD4HTR2AHTR7
SCHEMBL7098299 0.84 DRD3 (0.51) ADRA1ADRD2DRD4HTR2AHTR7
SCHEMBL7099317 0.84 DRD3 (0.51) ADRA1ADRD2DRD4HTR2AHTR7
SCHEMBL7102358 0.83 DRD3 (0.57) ADRA1ADRD2DRD4HTR2AHTR7

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