SCHEMBL8648348

SCHEMBL8648348

C[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc3ccccc23)C1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 3/20 0.67
▸ HTR7 P34969 12/20 0.62
▸ HRH3 Q9Y5N1 2/20 0.55
▸ CCR1 P32246 1/20 0.53
▸ HTR6 P50406 1/20 0.52
▸ TSHR P16473 1/20 0.52

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
SCHEMBL11111481 0.85 HTR7 (0.66) SLC6A9HTR7CCR1HTR6TSHR
SCHEMBL8643575 0.82 HTR7 (0.70) SLC6A9HTR7HRH3
SCHEMBL11101165 0.81 HTR7 (0.67) HTR7CCR1HTR6TSHR
SCHEMBL8552320 0.81 HTR7 (0.70) SLC6A9HTR7CCR1HTR6TSHR
SCHEMBL14382102 0.81 SLC6A9 (1.00) SLC6A9HTR7
SCHEMBL14382140 0.81 SLC6A9 (1.00) SLC6A9HTR7
Hydrochloric Acid SCHEMBL11104579 0.80 SLC6A9 (0.54) SLC6A9HTR7HTR6
Hydrochloric Acid SCHEMBL11111993 0.80 HTR7 (0.67) HTR7CCR1HTR6TSHR
SCHEMBL11108893 0.80 SLC6A9 (0.67) SLC6A9HTR7CCR1
SCHEMBL25759707 0.79 BCHE (0.63) HTR7CCR1HTR6

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-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
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