SCHEMBL8090756

SCHEMBL8090756

COc1ccc(S(N)(=O)=O)cc1N1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 18/20 0.63
▸ HTR7 P34969 1/20 0.61
▸ HTR4 Q13639 1/20 0.61
▸ HTR3E A5X5Y0 1/20 0.59
▸ HTR3B O95264 1/20 0.59
▸ HTR3A P46098 1/20 0.59
▸ HTR3D Q70Z44 1/20 0.59
▸ HTR3C Q8WXA8 1/20 0.59

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
SCHEMBL13979786 0.86 HTR6 (0.65) HTR6HTR7HTR3EHTR3BHTR3A
SCHEMBL6187693 0.84 HTR6 (0.58) HTR6HTR7HTR4
SCHEMBL31588161 0.83 HTR6 (0.71) HTR6HTR7HTR4
SCHEMBL4659535 0.83 HTR6 (0.58) HTR6HTR7HTR4HTR3EHTR3B
SCHEMBL4659557 0.83 HTR6 (0.62) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL4658417 0.82 HTR3E (0.69) HTR6HTR7HTR3EHTR3BHTR3A
SCHEMBL28027580 0.81 ALDH1A1 (0.58) HTR6HTR7HTR4HTR3EHTR3B
SCHEMBL4658341 0.81 HTR6 (0.72) HTR6HTR7HTR3EHTR3BHTR3A
SCHEMBL7160310 0.81 HTR6 (0.69) HTR6HTR7HTR4
SCHEMBL32672532 0.81 HTR6 (0.59) HTR6HTR7HTR4HTR3EHTR3B

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-1049679-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2000-11-08 — — EP claimed
WO-1999037623-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 — — WO claimed
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