SCHEMBL4393834

SCHEMBL4393834

O=C1OCc2cc(Br)ccc2N1C1CCN(S(=O)(=O)c2ccccc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.57
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.39
CTSS P25774 1/20 0.39
OXTR P30559 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3156046 0.90 HTR6 (0.52) HTR6PKMPKLR
SCHEMBL3157140 0.90 HTR6 (0.59) HTR6EPHX2CTSSOXTR
SCHEMBL3142711 0.89 HTR6 (0.49) HTR6ALDH1A1HTR2AHTR2CPKM
SCHEMBL3138534 0.89 HTR6 (0.49) HTR6HTR2AHTR2CPKM
SCHEMBL3138848 0.89 HTR6 (0.51) HTR6PKMPKLRCTSSOXTR
SCHEMBL3145187 0.89 HTR6 (0.58) HTR6
SCHEMBL3144633 0.88 HTR6 (0.51) HTR6TSHR
SCHEMBL3143032 0.88 HTR6 (0.57) HTR6CTSSOXTR
SCHEMBL3152344 0.87 HTR6 (0.55) HTR6ALDH1A1PKMCTSSOXTR
SCHEMBL3139646 0.87 HTR6 (0.55) HTR6

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