SCHEMBL8893988

SCHEMBL8893988

CCN(CC)CCc1c[nH]c2ccc(-c3cccs3)cc12

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.78
HTR1B P28222 11/20 0.78
MPO P05164 1/20 0.58
HTR1A P08908 3/20 0.56
HTR6 P50406 2/20 0.56
HTR2A P28223 3/20 0.52

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
SCHEMBL8688690 0.88 HTR1D (1.00) HTR1DHTR1BMPOHTR1AHTR6
SCHEMBL8901244 0.81 HTR1D (0.76) HTR1DHTR1BHTR1A
SCHEMBL8686120 0.81 HTR1D (1.00) HTR1DHTR1BMPOHTR1AHTR6
Hydrochloric Acid SCHEMBL7317904 0.80 HTR1D (0.97) HTR1DHTR1BMPOHTR1AHTR6
Dimethylamine SCHEMBL8688692 0.80 HTR1D (0.67) HTR1DHTR1B
Diethylamine SCHEMBL8903599 0.78 HTR1D (0.64) HTR1DHTR1BMPOHTR2A
SCHEMBL8902207 0.76 HTR1D (0.64) HTR1DHTR1BHTR1A
SCHEMBL8686765 0.75 HTR1D (1.00) HTR1DHTR1BMPOHTR2A
SCHEMBL1750009 0.75 HTR1D (0.66) HTR1DHTR1B
SCHEMBL8902545 0.75 HTR1D (1.00) HTR1DHTR1BMPOHTR1AHTR2A

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
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 WO claimed
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 WO disclosed