SCHEMBL7860685

SCHEMBL7860685

O=S(=O)(Oc1ccc(F)c2c1C[C@@H](N(C1CCCC1)C1CCC1)CO2)C(F)(F)F.Oc1ccc(F)c2c1C[C@@H](N(C1CCCC1)C1CCC1)CO2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.51
DRD2 P14416 2/20 0.36
HTR1D P28221 2/20 0.36
DRD3 P35462 2/20 0.36
SLC6A4 P31645 5/20 0.32

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
SCHEMBL7857029 0.99 HTR1A (0.52) HTR1ADRD2HTR1DDRD3SLC6A4
SCHEMBL7615691 0.94 HTR1A (0.54) HTR1ADRD2HTR1DDRD3SLC6A4
SCHEMBL7615682 0.94 HTR1A (0.54) HTR1ADRD2HTR1DDRD3SLC6A4
SCHEMBL7617997 0.93 HTR1A (0.55) HTR1ADRD2HTR1DDRD3SLC6A4
SCHEMBL7618009 0.93 HTR1A (0.55) HTR1ADRD2HTR1DDRD3SLC6A4
SCHEMBL7859098 0.89 HTR1A (0.59) HTR1ADRD2HTR1DDRD3SLC6A4
SCHEMBL7857717 0.88 HTR1A (0.40) HTR1ADRD2HTR1DDRD3SLC6A4
SCHEMBL7857729 0.88 HTR1A (0.60) HTR1ADRD2HTR1DDRD3SLC6A4
SCHEMBL7857726 0.87 DRD2 (0.44) HTR1ADRD2HTR1DDRD3SLC6A4
SCHEMBL7857811 0.86 DRD2 (0.43) HTR1ADRD2HTR1DDRD3SLC6A4

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-0725779-B1 NOVEL (R)-5-CARBAMOYL-8-FLUORO-3-N,N-DISUBSTITUTED-AMINO-3,4-DIHYDRO-2H-1-BENZOPYRANES ASTRAZENECA AB (SE) 2001-07-11 EP disclosed