SCHEMBL27646109

SCHEMBL27646109

CC(=O)OC(C)c1cccc2c1ccn2S(=O)(=O)CC=Cc1ccc(CN)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.31
▸ BCHE P06276 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ HTR1F P30939 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ DRD3 P35462 1/20 0.30

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
SCHEMBL27646111 0.79 HTR6 (0.32) HTR6BCHE
SCHEMBL28777649 0.77 HTR6 (0.36) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL28777480 0.75 HDAC3 (0.36) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27750247 0.71 HTR6 (0.56) HTR6
SCHEMBL27643120 0.70 HTR6 (0.53) HTR6HTR1A
SCHEMBL27771239 0.69 HTR6 (0.56) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27674782 0.68 PPARG (0.32) —
SCHEMBL27775885 0.64 HDAC6 (0.47) HTR6
SCHEMBL27771342 0.64 HDAC3 (0.36) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL28790455 0.64 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1878756-A Sulfonyltetrahydro-3H-benzo indol-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2006-12-13 — — CN disclosed
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