SCHEMBL6598221

SCHEMBL6598221

COc1ccccc1N1CCN(CCC(O)c2sc3ccc(C)cc3c2C)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.62
HTR1D P28221 1/20 0.59
DRD2 P14416 2/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1A P35348 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL6599530 0.91 HTR1A (0.67) HTR1AHTR1DDRD2ADRA1A
SCHEMBL6618280 0.87 HTR1A (0.71) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6598544 0.82 HTR1A (0.80) HTR1AHTR1D
SCHEMBL6598932 0.80 HTR1A (0.61) HTR1AHTR1DDRD2MEN1KMT2A
Hydrochloric Acid SCHEMBL6597392 0.79 HTR1A (0.60) HTR1AHTR1DDRD2HTR2AHTR7
SCHEMBL7722436 0.79 HTR1A (0.84) HTR1AHTR1DDRD2
SCHEMBL6598541 0.79 HTR1A (0.65) HTR1AHTR1D
SCHEMBL7970947 0.79 HTR1A (0.50) HTR1AHTR1DDRD2HTR2AHTR7
SCHEMBL7970944 0.79 HTR1A (0.50) HTR1AHTR1DDRD2HTR2AHTR7
SCHEMBL6600330 0.78 HTR1A (0.70) 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 6 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 claimed
US-6262056-B1 TREATING ANXIETY OR DEPRESSION VITA-INVEST, SA (ES) 2001-07-17 US claimed
EP-1008594-A1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA-INVEST, S.A. (ES) 2000-06-14 EP claimed
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