SCHEMBL6599530

SCHEMBL6599530

COc1ccccc1N1CCN(CCC(O)c2sc3ccccc3c2C)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.67
HTR1D P28221 2/20 0.67
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD2 P14416 2/20 0.51
DRD3 P35462 1/20 0.50

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
SCHEMBL6598221 0.91 HTR1A (0.62) HTR1AHTR1DADRA1ADRD2
SCHEMBL6598541 0.87 HTR1A (0.65) HTR1AHTR1D
SCHEMBL6618280 0.85 HTR1A (0.71) HTR1AHTR1D
SCHEMBL29708061 0.80 HTR1A (1.00) HTR1AHTR1D
SCHEMBL6597327 0.80 HTR1A (1.00) HTR1AHTR1D
SCHEMBL6600330 0.80 HTR1A (0.70) HTR1AHTR1DDRD2DRD3
SCHEMBL6598764 0.79 HTR1A (1.00) HTR1AHTR1DDRD2DRD3
SCHEMBL1578260 0.78 HTR1A (1.00) HTR1AHTR1DDRD2
SCHEMBL7722436 0.77 HTR1A (0.84) HTR1AHTR1DDRD2DRD3
SCHEMBL6599023 0.77 HTR1A (1.00) HTR1AHTR1DDRD2

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-1008594-B1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA LAB (ES) 2004-03-17 EP disclosed
US-6262056-B1 TREATING ANXIETY OR DEPRESSION VITA-INVEST, SA (ES) 2001-07-17 US disclosed
EP-1008594-A1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA-INVEST, S.A. (ES) 2000-06-14 EP disclosed