SCHEMBL5815985

SCHEMBL5815985

CC(C)c1ccc(S(=O)(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1.Cc1cccc2c1N(C1CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC1)COC2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.52
POLB P06746 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.40
OXTR P30559 4/20 0.40

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
SCHEMBL5783801 0.89 HTR6 (0.54) HTR6OXTR
SCHEMBL3143574 0.87 HTR6 (0.62) HTR6POLBMCOLN3OXTR
SCHEMBL5780968 0.86 HTR6 (0.52) HTR6OXTR
SCHEMBL3153469 0.86 HTR6 (0.66) HTR6POLBMCOLN3
SCHEMBL5809641 0.85 HTR6 (0.54) HTR6OXTR
SCHEMBL5781541 0.82 HTR6 (0.53) HTR6OXTR
SCHEMBL5430905 0.79 PKM (0.50) HTR6POLB
SCHEMBL5785377 0.79 HTR6 (0.64) HTR6OXTR
SCHEMBL3156992 0.78 HTR6 (0.66) HTR6OXTR
SCHEMBL5439699 0.78 ALDH1A1 (0.55) HTR6POLB

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 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