SCHEMBL6598764

SCHEMBL6598764

COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 1.00
HTR1D P28221 1/20 0.60
DRD2 P14416 2/20 0.55
DRD3 P35462 1/20 0.53

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
SCHEMBL6599023 0.83 HTR1A (1.00) HTR1AHTR1DDRD2
Hydrochloric Acid SCHEMBL6601939 0.82 HTR1A (0.98) HTR1AHTR1DDRD2
Hydrochloric Acid SCHEMBL6597603 0.82 HTR1A (0.98) HTR1AHTR1DDRD2
SCHEMBL1578260 0.81 HTR1A (1.00) HTR1AHTR1DDRD2
SCHEMBL7722436 0.81 HTR1A (0.84) HTR1AHTR1DDRD2DRD3
SCHEMBL6600330 0.79 HTR1A (0.70) HTR1AHTR1DDRD2DRD3
SCHEMBL6599530 0.79 HTR1A (0.67) HTR1AHTR1DDRD2DRD3
SCHEMBL6595679 0.79 HTR1A (1.00) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6598385 0.78 HTR1A (0.98) HTR1AHTR1D
SCHEMBL6598221 0.77 HTR1A (0.62) 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 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