SCHEMBL4402709

SCHEMBL4402709

O=C1OCc2cc(Br)ccc2N1C1CCN(S(=O)(=O)c2ccsc2)CC1.O=c1nc2ccccc2co1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.45
OXTR P30559 8/20 0.35
CTSS P25774 1/20 0.34
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL3148592 0.87 HTR6 (0.49) HTR6OXTRCTSSCHRM1DRD2
SCHEMBL3153461 0.78 HTR6 (0.66) HTR6OXTR
SCHEMBL3152642 0.78 HTR6 (0.55) HTR6OXTRCTSSCHRM1DRD2
SCHEMBL3152985 0.78 HTR6 (0.56) HTR6
SCHEMBL3157767 0.77 HTR6 (0.54) HTR6
SCHEMBL3152690 0.77 HTR6 (0.49) HTR6OXTR
SCHEMBL5697915 0.77 HTR6 (0.37) HTR6
SCHEMBL5781747 0.77 CHRM1 (0.36) CHRM1DRD2
SCHEMBL3144598 0.77 HTR6 (0.52) HTR6CTSSCHRM1DRD2
SCHEMBL3148130 0.76 MBTD1 (0.56) HTR6OXTRCTSSCHRM1DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed