SCHEMBL7615682

SCHEMBL7615682

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.54
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
HTR1D P28221 2/20 0.39
SLC6A4 P31645 4/20 0.33
DRD4 P21917 2/20 0.33
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31

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
SCHEMBL7615691 1.00 HTR1A (0.54) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL7618009 0.99 HTR1A (0.55) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL7617997 0.99 HTR1A (0.55) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL7860685 0.94 HTR1A (0.51) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL7857029 0.93 HTR1A (0.52) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL7859098 0.92 HTR1A (0.59) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL7857729 0.91 HTR1A (0.60) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL7614925 0.86 HTR1A (0.41) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL7614937 0.86 HTR1A (0.41) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL9065095 0.85 HTR1A (0.52) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822813-B1 A COMBINATION OF A 5-HT UPTAKE INHIBITOR WITH A SELECTIVE 5-HT 1A ANTAGONIST ASTRAZENECA AB (SE) 2002-04-24 EP disclosed
US-5962514-A Combination of 5-HT uptake inhibitor with a selective 5-HT1A antagonist ASTRA AKTIEBOLAG (SE) 1999-10-05 US disclosed
EP-0822813-A1 A COMBINATION OF A 5-HT UPTAKE INHIBITOR WITH A SELECTIVE 5-HT 1A? ANTAGONIST Astra Aktiebolag (SE) 1998-02-11 EP disclosed
US-5616610-A CENTRAL NERVOUS SYSTEM DISORDERS ASTRA AKTIEBOLAG (SE) 1997-04-01 US disclosed
WO-1996033710-A1 A COMBINATION OF A 5-HT UPTAKE INHIBITOR WITH A SELECTIVE 5-HT1A ANTAGONIST ASTRA AKTIEBOLAG (SE) 1996-10-31 WO disclosed
EP-0725779-A1 NOVEL (R)-5-CARBAMOYL-8-FLUORO-3-N,N-DISUBSTITUTED-AMINO-3,4-DIHYDRO-2H-1-BENZOPYRANES Astra Aktiebolag (SE) 1996-08-14 EP disclosed
WO-1995011891-A1 NOVEL (R)-5-CARBAMOYL-8-FLUORO-3-N,N-DISUBSTITUTED-AMINO-3,4-DIHYDRO-2H-1-BENZOPYRANES ASTRA AKTIEBOLAG (SE) 1995-05-04 WO disclosed