Sugi Predict

Sugi Predict / Compounds / SCHEMBL5809641

SCHEMBL5809641

SCHEMBL5809641

Cc1cccc2c1N(C1CCN(S(=O)(=O)c3c(F)cccc3F)CC1)COC2.O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 9/20 0.54
▸ OXTR P30559 3/20 0.41
▸ C5AR1 P21730 1/20 0.38

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
SCHEMBL5781541 0.89 HTR6 (0.53) HTR6OXTR
SCHEMBL3152824 0.86 HTR6 (0.69) HTR6OXTR
SCHEMBL3153180 0.85 HTR6 (0.69) HTR6
SCHEMBL5815985 0.85 HTR6 (0.52) HTR6OXTR
SCHEMBL5780968 0.85 HTR6 (0.52) HTR6OXTR
SCHEMBL5783801 0.85 HTR6 (0.54) HTR6OXTR
SCHEMBL5427892 0.80 HTR6 (0.45) HTR6C5AR1
SCHEMBL3147545 0.79 HTR6 (0.64) HTR6OXTR
SCHEMBL5783141 0.78 HTR6 (0.52) HTR6
SCHEMBL3144554 0.78 HTR6 (0.52) HTR6

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-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 — — EP disclosed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 — — WO disclosed