SCHEMBL6598942

SCHEMBL6598942

Oc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 1.00
HTR1D P28221 1/20 0.74
HTR7 P34969 2/20 0.64

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
SCHEMBL29708061 0.85 HTR1A (1.00) HTR1AHTR1D
SCHEMBL6597327 0.85 HTR1A (1.00) HTR1AHTR1D
SCHEMBL6597158 0.82 HTR1A (1.00) HTR1AHTR1DHTR7
SCHEMBL8302958 0.82 HTR1A (0.74) HTR1AHTR1DHTR7
Hydrochloric Acid SCHEMBL6597536 0.81 HTR1A (0.73) HTR1AHTR1DHTR7
Hydrochloric Acid SCHEMBL6598848 0.81 HTR1A (0.87) HTR1AHTR1DHTR7
SCHEMBL6599536 0.81 HTR1A (1.00) HTR1AHTR1DHTR7
Hydrochloric Acid SCHEMBL6598674 0.81 HTR1A (0.98) HTR1AHTR1DHTR7
SCHEMBL6601390 0.81 HTR1A (0.75) HTR1AHTR1DHTR7
SCHEMBL6618280 0.80 HTR1A (0.71) HTR1AHTR1D

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