SCHEMBL6980962

SCHEMBL6980962

CN1CCN(c2cc(NS(=O)(=O)c3ccc(Cl)s3)cc3c2OCC3)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.64
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
MCOLN3 Q8TDD5 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
DRD2 P14416 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
TP53 P04637 2/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL6973981 0.84 HTR6 (0.59) HTR6ALDH1A1KMT2AMEN1LMNA
SCHEMBL6978521 0.84 HTR6 (0.61) HTR6ALDH1A1TDP1DRD2HTR2C
SCHEMBL6980473 0.84 HTR6 (0.58) HTR6MAPTALDH1A1TDP1MCOLN3
SCHEMBL6980766 0.82 HTR6 (0.64) HTR6ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6972659 0.82 HTR6 (0.53) HTR6DRD2HTR2CDRD3
SCHEMBL6975641 0.81 HTR6 (0.62) HTR6MAPTALDH1A1KMT2AMEN1
SCHEMBL6979282 0.78 HTR6 (0.60) HTR6MAPTALDH1A1KMT2AMEN1
SCHEMBL6977914 0.78 HTR6 (0.59) HTR6MAPTALDH1A1TDP1KMT2A
SCHEMBL7200160 0.78 HTR6 (1.00) HTR6L3MBTL1DRD2HTR2CDRD3
SCHEMBL6974064 0.77 HTR6 (0.55) HTR6MAPTALDH1A1KMT2AMEN1

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