SCHEMBL8553855

SCHEMBL8553855

CCC(N1CCCC1)N(C)S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HCRTR2 O43614 1/20 0.41
▸ PGR P06401 2/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ CHRNA1 P02708 1/20 0.40
▸ CHRNG P07510 1/20 0.40
▸ CHRNB1 P11230 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CHRND Q07001 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
Hydrochloric Acid SCHEMBL8628369 0.88 HTR2A (0.45) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL8622342 0.73 SLC6A2 (0.44) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL8595290 0.70 HTT (0.48) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL811119 0.70 HTR2A (0.55) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL811396 0.69 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AHCRTR2TSHR
SCHEMBL491691 0.68 SIGMAR1 (0.51) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL11183208 0.68 PGR (0.54) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL15010078 0.66 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATSHRMMP2
Hydrochloric Acid SCHEMBL8555665 0.65 MAPT (0.47) ALDH1A1TSHRHTT
SCHEMBL4555970 0.65 ALDH1A1 (0.97) ALDH1A1MEN1KMT2ATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883613-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-12-16 — — EP claimed
WO-1997029097-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-08-14 — — WO claimed
EP-0883613-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-12-16 — — EP disclosed
WO-1997029097-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-08-14 — — WO disclosed
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