SCHEMBL6972659

SCHEMBL6972659

CN1CCN(c2cc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)cc3c2OCC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.53
GHSR Q92847 13/20 0.49
DRD3 P35462 2/20 0.48
MLNR O43193 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PFKFB3 Q16875 1/20 0.46
RXFP1 Q9HBX9 1/20 0.43
DRD2 P14416 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL6980962 0.82 HTR6 (0.64) HTR6DRD3DRD2HTR2C
SCHEMBL6971600 0.80 GHSR (0.74) HTR6GHSRDRD3CYP2D6DRD2
SCHEMBL6980473 0.80 HTR6 (0.58) HTR6
SCHEMBL6973981 0.75 HTR6 (0.59) HTR6DRD3CYP2D6DRD2HTR2C
SCHEMBL7086874 0.74 HTR6 (0.59) HTR6GHSRDRD3HTR2C
SCHEMBL7085849 0.73 HTR6 (0.56) HTR6GHSRDRD3HTR2C
SCHEMBL6979282 0.73 HTR6 (0.60) HTR6DRD3CYP2D6CYP2C9DRD2
SCHEMBL6978521 0.72 HTR6 (0.61) HTR6DRD3CYP2D6PFKFB3DRD2
SCHEMBL6981615 0.72 HTR6 (0.54) HTR6DRD3CYP2D6DRD2HTR2C
SCHEMBL6975641 0.72 HTR6 (0.62) HTR6DRD3CYP2D6CYP2C9DRD2

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