SCHEMBL29057975

SCHEMBL29057975

COc1ccc(S(=O)(=O)c2cccc(N3CCNCC3)c2C=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.59
▸ HTR1A P08908 3/20 0.49
▸ HTR7 P34969 2/20 0.49
▸ HTR3A P46098 3/20 0.46
▸ HTR3E A5X5Y0 2/20 0.45
▸ HTR3B O95264 2/20 0.45
▸ HTR3D Q70Z44 2/20 0.45
▸ HTR3C Q8WXA8 2/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ HTR2B P41595 1/20 0.44

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
SCHEMBL29058025 0.89 HTR6 (0.58) HTR6HTR1AHTR7HTR3AHTR3E
SCHEMBL30395050 0.89 HTR6 (0.58) HTR6HTR1AHTR7HTR3AHTR3E
SCHEMBL29058026 0.87 HTR6 (0.58) HTR6HTR1AHTR3AADRB1
SCHEMBL29057926 0.85 HTR6 (0.74) HTR6HTR1AHTR7
SCHEMBL29057978 0.84 HTR6 (0.58) HTR6HTR1AHTR7
SCHEMBL29058052 0.84 HTR6 (0.58) HTR6HTR1AHTR3AADRB1MAPT
SCHEMBL28311434 0.82 HTR6 (0.57) HTR6HTR1AHTR7HTR3AHTR3E
SCHEMBL30394603 0.82 HTR6 (0.57) HTR6HTR1AHTR7HTR3AHTR3E
SCHEMBL28312433 0.82 HTR6 (0.57) HTR6HTR1AHTR7HTR3AHTR3E
SCHEMBL29058019 0.81 HTR6 (0.57) HTR6HTR1AHTR3AHTR3EHTR3B

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-110117264-B Phenyl sulfone derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-09 — — CN disclosed
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