SCHEMBL8894945

SCHEMBL8894945

c1coc(-c2ccc3[nH]cc(CCC4CCCN4)c3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.60
HTR6 P50406 11/20 0.46
HTR1B P28222 3/20 0.39
HTR1A P08908 2/20 0.39
HTR2C P28335 2/20 0.39
HTR1F P30939 2/20 0.39
HTR1D P28221 2/20 0.39
HTR7 P34969 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39

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
SCHEMBL8894091 0.92 SLC6A4 (0.49) SLC6A4HTR6HTR1BHTR1AHTR2C
SCHEMBL8686768 0.79 HTR1D (0.64) SLC6A4HTR6HTR1BHTR1D
SCHEMBL8894085 0.78 HTR1D (0.59) HTR1BHTR1DBRD4
SCHEMBL8903222 0.78 HTR1D (0.62) HTR1BHTR1DBRD4
SCHEMBL6968677 0.77 SLC6A4 (0.70) SLC6A4HTR6HTR1BHTR1AHTR2C
SCHEMBL8506913 0.77 SLC6A4 (0.70) SLC6A4HTR6HTR1BHTR1AHTR2C
SCHEMBL6971173 0.77 SLC6A4 (0.60) SLC6A4HTR6HTR1BHTR1D
SCHEMBL8903373 0.76 HTR1D (0.62) SLC6A4HTR6HTR1BHTR1AHTR1D
SCHEMBL8506286 0.75 SLC6A4 (0.67) SLC6A4HTR6HTR1BHTR1AHTR1D
SCHEMBL8480264 0.74 SLC6A4 (0.80) SLC6A4HTR6HTR1BHTR1AHTR2C

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