SCHEMBL6598541

SCHEMBL6598541

Cc1c(C(O)CCN2CCN(c3ccccc3O)CC2)sc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.65
HTR1D P28221 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
SCHEMBL6599530 0.87 HTR1A (0.67) HTR1AHTR1D
SCHEMBL6618280 0.81 HTR1A (0.71) HTR1AHTR1D
SCHEMBL6598942 0.79 HTR1A (1.00) HTR1AHTR1D
SCHEMBL6598221 0.79 HTR1A (0.62) HTR1AHTR1D
SCHEMBL6607803 0.76 HTR1A (1.00) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6599700 0.76 HTR1A (0.62) HTR1AHTR1D
SCHEMBL28185020 0.69 HTR1A (0.73) HTR1A
SCHEMBL29708061 0.67 HTR1A (1.00) HTR1AHTR1D
SCHEMBL6597327 0.67 HTR1A (1.00) HTR1AHTR1D
SCHEMBL5470993 0.66 GAA (0.58) HTR1A

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