SCHEMBL6601964

SCHEMBL6601964

COc1ccccc1N1CCN(CCC(Oc2cccc(C(F)(F)F)c2)c2ccsc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.84
HTR1D P28221 1/20 0.68
ALDH1A1 P00352 1/20 0.48

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 SCHEMBL6601400 0.90 HTR1A (0.98) HTR1AHTR1D
SCHEMBL7444890 0.83 HTR1A (0.57) HTR1AHTR1DALDH1A1
SCHEMBL6599069 0.81 HTR1A (1.00) HTR1AHTR1D
SCHEMBL8130495 0.81 HTR1A (1.00) HTR1AHTR1DALDH1A1
SCHEMBL10052738 0.81 HTR1A (1.00) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6599075 0.80 HTR1A (0.98) HTR1AHTR1DALDH1A1
SCHEMBL6595679 0.76 HTR1A (1.00) HTR1AHTR1DALDH1A1
Hydrochloric Acid SCHEMBL6598385 0.75 HTR1A (0.98) HTR1AHTR1DALDH1A1
SCHEMBL27536635 0.74 HTR1A (0.77) HTR1AHTR1D
SCHEMBL10021790 0.74 HTR1A (0.88) HTR1AALDH1A1

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