SCHEMBL6925873

SCHEMBL6925873

O=S(=O)(O)Nc1ccc2c(c1)CNCC2

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.56
HTR6 P50406 2/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
DRD3 P35462 1/20 0.54
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
MELK Q14680 1/20 0.52
SLC2A1 P11166 1/20 0.48

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
SCHEMBL27803929 0.94 HTR6 (0.54) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL3249580 0.86 PNMT (0.62) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL7452220 0.80 HTR6 (0.84) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL13757776 0.80 PNMT (0.76) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL8115507 0.79 HTR6 (0.55) PNMTHTR6DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL10563577 0.79 HTR6 (0.82) PNMTHTR6DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL9958844 0.79 PNMT (0.74) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL7258770 0.78 ALDH1A1 (0.58)
Hydrochloric Acid SCHEMBL4789165 0.78 HTR6 (0.54) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL6150374 0.77 PNMT (0.85) PNMTHTR6DRD2HTR2AHTR2C

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
WO-2004074256-A1 TETRAHYDROISOQUINOLINYL SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO claimed