SCHEMBL6598604

SCHEMBL6598604

COc1ccccc1N1CCN(CCC(c2cc(C)sc2C)N(C(=O)O)C(C)C)CC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.68
DRD2 P14416 1/20 0.50
HTR1D P28221 2/20 0.49
HTR2B P41595 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 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
SCHEMBL6599023 0.81 HTR1A (1.00) HTR1ADRD2HTR1D
Hydrochloric Acid SCHEMBL6597603 0.80 HTR1A (0.98) HTR1ADRD2HTR1D
SCHEMBL6597937 0.73 HTR1A (1.00) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6598673 0.73 HTR1A (0.98) HTR1AHTR1D
SCHEMBL6598607 0.73 HTR1A (0.58) HTR1ADRD2
SCHEMBL8129914 0.70 HTR1A (0.62) HTR1ADRD2
SCHEMBL7458206 0.69 HTR1A (0.78) HTR1ADRD2HTR1DHTR2BLMNA
SCHEMBL6598764 0.69 HTR1A (1.00) HTR1ADRD2HTR1D
SCHEMBL6486972 0.68 HTR1A (0.79) HTR1ADRD2HTR1DHTR2B
Benzene SCHEMBL10433203 0.68 HTR1A (0.79) HTR1ADRD2

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 1 patent. 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