SCHEMBL6595679

SCHEMBL6595679

COc1ccccc1N1CCN(CCC(O)c2ccsc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 1.00
HTR1D P28221 2/20 0.66
ALDH1A1 P00352 1/20 0.61

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
Hydrochloric Acid SCHEMBL6598385 0.99 HTR1A (0.98) HTR1AHTR1DALDH1A1
SCHEMBL1578260 0.87 HTR1A (1.00) HTR1AHTR1D
SCHEMBL7722436 0.84 HTR1A (0.84) HTR1AHTR1D
SCHEMBL6597719 0.83 HTR1A (1.00) HTR1A
Hydrochloric Acid SCHEMBL6601939 0.81 HTR1A (0.98) HTR1AHTR1DALDH1A1
SCHEMBL28184984 0.80 HTR1A (0.75) HTR1AHTR1DALDH1A1
SCHEMBL6600330 0.80 HTR1A (0.70) HTR1AHTR1D
SCHEMBL8130495 0.79 HTR1A (1.00) HTR1AHTR1DALDH1A1
Hydrochloric Acid SCHEMBL6599075 0.79 HTR1A (0.98) HTR1AHTR1DALDH1A1
SCHEMBL6598764 0.79 HTR1A (1.00) 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 2 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
EP-1008594-A1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA-INVEST, S.A. (ES) 2000-06-14 EP disclosed