SCHEMBL8553908

SCHEMBL8553908

C[C@H]1CCCN(CC[C@@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 16/20 1.00
▸ SLC6A9 P48067 1/20 0.56
▸ HTR2A P28223 2/20 0.50
▸ HTR2C P28335 2/20 0.50
▸ DRD2 P14416 2/20 0.50
▸ HTR1D P28221 2/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.49
▸ HTR1A P08908 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ HTR2B P41595 1/20 0.47

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 SCHEMBL8593597 0.99 HTR7 (0.98) HTR7SLC6A9HTR2AHTR2CDRD2
SCHEMBL8643575 0.81 HTR7 (0.70) HTR7SLC6A9HTR2AHTR2CDRD2
SCHEMBL8647595 0.79 HTR7 (0.72) HTR7HTR2AHTR2CDRD2HTR1D
SCHEMBL8554984 0.76 HTR7 (0.62) HTR7SLC6A9HTR2AHTR2CDRD2
SCHEMBL8552181 0.76 HTR7 (0.77) HTR7HTR2AHTR2CDRD2HTR1D
SCHEMBL8648348 0.76 SLC6A9 (0.67) HTR7SLC6A9HRH3
SCHEMBL2729765 0.73 HTR7 (0.74) HTR7HTR2AHTR2CDRD2HTR1D
SCHEMBL14382102 0.71 SLC6A9 (1.00) HTR7SLC6A9
SCHEMBL14382140 0.71 SLC6A9 (1.00) HTR7SLC6A9
SCHEMBL14520857 0.71 HTR7 (0.67) HTR7HTR2AHTR2CDRD2HTR1D

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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