SCHEMBL8903373

SCHEMBL8903373

c1csc(-c2ccc3[nH]cc(CCC4CCCCN4)c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.62
HTR1B P28222 8/20 0.62
SLC6A4 P31645 4/20 0.61
LTA4H P09960 1/20 0.46
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
HTR6 P50406 4/20 0.42
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL8686768 0.97 HTR1D (0.64) HTR1DHTR1BSLC6A4LTA4HHTR6
SCHEMBL8686765 0.77 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8903385 0.76 HTR1D (0.98) HTR1DHTR1B
SCHEMBL8901244 0.76 HTR1D (0.76) HTR1DHTR1BHTR1AHTR7
SCHEMBL8686120 0.76 HTR1D (1.00) HTR1DHTR1BHTR6HTR1AHTR7
SCHEMBL8894945 0.76 SLC6A4 (0.60) HTR1DHTR1BSLC6A4HTR6HTR1A
Hydrochloric Acid SCHEMBL7317904 0.75 HTR1D (0.97) HTR1DHTR1BHTR6HTR1AHTR7
SCHEMBL8902545 0.75 HTR1D (1.00) HTR1DHTR1BHTR1AHTR7
SCHEMBL8893980 0.75 HTR1D (0.73) HTR1DHTR1BSLC6A4
SCHEMBL8901901 0.74 HTR1D (1.00) HTR1DHTR1BHTR1AHTR7

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