SCHEMBL8893980

SCHEMBL8893980

CC1CCCCN1CCc1c[nH]c2ccc(-c3cccs3)cc12

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.73
HTR1B P28222 9/20 0.73
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HRH3 Q9Y5N1 4/20 0.47
KCNH2 Q12809 2/20 0.45
HTR2A P28223 3/20 0.44
SLC6A2 P23975 1/20 0.44
BRD4 O60885 1/20 0.44
DRD2 P14416 2/20 0.43
HTR2C P28335 2/20 0.43
SLC6A4 P31645 1/20 0.42

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
SCHEMBL8901901 0.85 HTR1D (1.00) HTR1DHTR1BBRD4
SCHEMBL8901608 0.83 HTR1D (1.00) HTR1DHTR1BSLC6A4
SCHEMBL8901617 0.83 HTR1D (1.00) HTR1DHTR1BSLC6A4
SCHEMBL8686765 0.83 HTR1D (1.00) HTR1DHTR1BHTR2ABRD4
SCHEMBL8903278 0.83 HTR1B (1.00) HTR1DHTR1BHTR2ADRD2HTR2C
SCHEMBL8903284 0.83 HTR1B (1.00) HTR1DHTR1BHTR2ADRD2HTR2C
SCHEMBL8903385 0.82 HTR1D (0.98) HTR1DHTR1BHTR2ABRD4
SCHEMBL8902545 0.77 HTR1D (1.00) HTR1DHTR1BHTR2ABRD4
SCHEMBL8686525 0.77 HTR1B (0.67) HTR1DHTR1B
SCHEMBL8688640 0.77 HTR1B (0.67) HTR1DHTR1B

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