SCHEMBL5815922

SCHEMBL5815922

O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC(N2COCc3ccccc32)CC1.O=c1nc2ccccc2co1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.38
▸ HTR6 P50406 4/20 0.38
▸ CYP2C19 P33261 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ LMNA P02545 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ PPARG P37231 1/20 0.30

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
SCHEMBL5785250 0.88 HTR6 (0.38) HTR6MAPK1
SCHEMBL5785930 0.85 PKM (0.41) PKMHTR6CYP2C19RXFP1ALDH1A1
SCHEMBL5786541 0.84 HTR6 (0.42) PKMHTR6CYP2C19NPY5RALDH1A1
SCHEMBL6051263 0.83 HTR6 (0.43) PKMHTR6ALDH1A1
SCHEMBL5786384 0.83 HTR6 (0.35) HTR6NPY5R
SCHEMBL5786579 0.82 MEN1 (0.40) HTR6ALDH1A1LMNAPOLB
SCHEMBL5781386 0.81 HTR6 (0.38) PKMHTR6RXFP1ALDH1A1LMNA
SCHEMBL5786948 0.81 HTR6 (0.31) HTR6NPY5R
SCHEMBL5697885 0.81 LMNA (0.39) PKMHTR6ALDH1A1LMNA
SCHEMBL5785457 0.80 CCR1 (0.40) HTR6NPY5R

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
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