SCHEMBL5783514

SCHEMBL5783514

O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2ccccn2)CC1.O=S(=O)(c1cccc2cc(O)c(O)cc12)N1CCC(N2COCc3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.58
▸ OXTR P30559 10/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ USP2 O75604 1/20 0.36

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
SCHEMBL3157286 0.86 HTR6 (0.78) HTR6OXTRALDH1A1KDM4ENPSR1
SCHEMBL3153033 0.81 HTR6 (0.70) HTR6OXTR
SCHEMBL5435335 0.80 HTR6 (0.46) HTR6ALDH1A1USP2
SCHEMBL3328861 0.75 HTR6 (1.00) HTR6OXTR
SCHEMBL4394046 0.75 HTR6 (1.00) HTR6ALDH1A1USP2
SCHEMBL6051263 0.74 HTR6 (0.43) HTR6ALDH1A1USP2
SCHEMBL3157039 0.73 HTR6 (0.80) HTR6KDM4E
SCHEMBL3142899 0.73 HTR6 (0.69) HTR6OXTRALDH1A1
SCHEMBL3147511 0.70 HTR6 (0.81) HTR6OXTR
SCHEMBL3152456 0.70 HTR6 (0.75) HTR6OXTRALDH1A1USP2

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
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