SCHEMBL6945959

SCHEMBL6945959

O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CCC[C@H]1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.51
PLAU P00749 1/20 0.45
BDKRB2 P30411 1/20 0.43
BDKRB1 P46663 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
LOX P28300 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
CNR2 P34972 1/20 0.39
ALOX5AP P20292 4/20 0.39
FEN1 P39748 3/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38

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
SCHEMBL6936917 0.85 RORC (0.54) RORCOPRM1OPRK1
SCHEMBL6936920 0.85 RORC (0.54) RORCOPRM1OPRK1
SCHEMBL6939720 0.83 MMP8 (0.53) RORCPLAUBDKRB2BDKRB1BRD4
SCHEMBL6944021 0.83 MMP8 (0.53) RORCPLAUBDKRB2BDKRB1BRD4
SCHEMBL6938724 0.80 CCR1 (0.43) RORCBDKRB2BDKRB1
SCHEMBL7649083 0.80 ALDH1A1 (0.54) RORCPLAUBDKRB2BDKRB1BRD4
SCHEMBL7718792 0.80 BDKRB2 (0.49) RORCBDKRB2BDKRB1
SCHEMBL7811395 0.78 BDKRB2 (0.60) RORCBDKRB2BDKRB1
SCHEMBL7643692 0.77 RORC (0.45) RORCPLAUBDKRB2BDKRB1BRD4
SCHEMBL6942963 0.76 TSHR (0.54) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155013-B1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2003-07-23 EP disclosed
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 US disclosed
EP-1155013-A1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 2001-11-21 EP disclosed
WO-2000050418-A9 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-02-22 WO disclosed
WO-2000050418-A1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 2000-08-31 WO disclosed