SCHEMBL5780968

SCHEMBL5780968

Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc(Br)c3)CC1)COC2.O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cccc(Br)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.52
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
OXTR P30559 5/20 0.41
CTSS P25774 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
SCHEMBL5423536 0.88 MBTD1 (0.54) HTR6MBTD1L3MBTL3
SCHEMBL3151906 0.87 HTR6 (0.65) HTR6MBTD1L3MBTL3OXTR
SCHEMBL5783801 0.86 HTR6 (0.54) HTR6OXTR
SCHEMBL5815985 0.86 HTR6 (0.52) HTR6OXTR
SCHEMBL3146923 0.86 HTR6 (0.66) HTR6MBTD1L3MBTL3
SCHEMBL5809641 0.85 HTR6 (0.54) HTR6OXTR
SCHEMBL5781541 0.84 HTR6 (0.53) HTR6OXTR
SCHEMBL5785377 0.82 HTR6 (0.64) HTR6OXTR
SCHEMBL3140363 0.81 HTR6 (0.59) HTR6OXTR
SCHEMBL3148180 0.80 MBTD1 (0.52) HTR6MBTD1L3MBTL3

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 4 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 claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
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