SCHEMBL9817817

SCHEMBL9817817

OC1O[CH]c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HTR2A P28223 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL4390027 0.77 HTR2A (0.38) MAOAMAOBHTR2ACYP2D6MEN1
SCHEMBL29433715 0.77 HTR2A (0.38) MAOAMAOBHTR2ACYP2D6MEN1
SCHEMBL2587972 0.66 MAOA (0.46) MAOAMAOBMEN1GAAKMT2A
SCHEMBL27731579 0.66 MAOA (0.33) MAOAMAOB
SCHEMBL14721861 0.63 PRCP (0.37) HTR2AGAA
SCHEMBL28445883 0.62 MAOA (0.33) MAOAMAOBHTR2ACYP2D6MEN1
SCHEMBL7790709 0.62 MAOA (0.33) MAOAMAOBHTR2ACYP2D6MEN1
SCHEMBL31099344 0.62 HTR2A (0.50) MAOAMAOBHTR2ACYP2D6MEN1
SCHEMBL1276091 0.62 HTR2A (0.50) MAOAMAOBHTR2ACYP2D6MEN1
SCHEMBL3628239 0.60 MAOA (0.60) MAOAMAOBHTR2ACYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0173899-B1 2,3-DIHYDROBENZOFURAN-5-SULFONAMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-12-18 EP disclosed
US-4659709-A LESS ADVERSE SIDE-EFFECTS SHIONOGI & CO. (JP) 1987-04-21 US disclosed
EP-0173899-A2 2,3-Dihydrobenzofuran-5-sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1986-03-12 EP disclosed