SCHEMBL8520563

SCHEMBL8520563

O=C1CCCc2ccc(OS(=O)(=O)C(F)(F)F)cc21.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.50
MAOB P27338 14/20 0.50
STS P08842 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
DRD3 P35462 1/20 0.40
CYP2A6 P11509 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL8520565 1.00 MAOA (0.50) MAOAMAOBSTSDRD2HTR1D
SCHEMBL1513290 0.96 MAOA (0.53) MAOAMAOBSTSDRD2HTR1D
SCHEMBL1513396 0.87 MAOB (0.46) MAOAMAOBSTSDRD2HTR1D
SCHEMBL315565 0.86 MAOB (0.55) MAOAMAOB
SCHEMBL1471642 0.83 MAOB (0.55) MAOAMAOBSTSHRH3
SCHEMBL4427945 0.81 STS (0.59) STSDRD2HTR1DDRD3
SCHEMBL21468547 0.79 STS (0.62) STSDRD2HTR1DDRD3HRH3
SCHEMBL3988527 0.79 MAOB (0.64) MAOAMAOB
SCHEMBL14128769 0.79 MAOA (0.53) MAOAMAOBSTSCYP2A6HRH3
SCHEMBL5026108 0.78 STS (0.64) STSDRD2HTR1DDRD3

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-0931086-A1 TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-07-28 EP disclosed
WO-1998009977-A1 TETRAHYDRONAPTHALENE DERIVATIVES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-03-12 WO disclosed