SCHEMBL7086874

SCHEMBL7086874

CN1CCN(c2cc(NS(=O)(=O)c3ccc4ccccc4c3)cc3c2OCC3)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.59
HTR2C P28335 3/20 0.59
HTR1A P08908 2/20 0.59
HTR2A P28223 2/20 0.59
HTR7 P34969 2/20 0.59
DRD3 P35462 2/20 0.59
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAD52 P43351 1/20 0.51
NLRP3 Q96P20 1/20 0.50
PKM P14618 4/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD4 P21917 1/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NR3C1 P04150 1/20 0.44
PKLR P30613 1/20 0.43

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
SCHEMBL6979282 0.85 HTR6 (0.60) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL6981615 0.84 HTR6 (0.54) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL7085849 0.83 HTR6 (0.56) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL6974064 0.83 HTR6 (0.55) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL6975641 0.81 HTR6 (0.62) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL6980473 0.80 HTR6 (0.58) HTR6ALDH1A1MAPTMEN1KMT2A
SCHEMBL7084057 0.78 HTR6 (0.67) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL6975625 0.76 HTR6 (0.78) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL6980962 0.76 HTR6 (0.64) HTR6HTR2CDRD3ALDH1A1MAPT
SCHEMBL6972659 0.74 HTR6 (0.53) HTR6HTR2CDRD3GHSR

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-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP claimed
US-6599904-B2 5-HT6 receptor antagonists are believed to be of potential use in the treatment of certain CNS disorders; cognitive memory enhancement SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US disclosed