SCHEMBL8903284

SCHEMBL8903284

COCC1CCCN1CCc1c[nH]c2ccc(-c3cccs3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 13/20 1.00
HTR1D P28221 11/20 1.00
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
SLC6A4 P31645 1/20 0.43
HTR1A P08908 2/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 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
SCHEMBL8903278 1.00 HTR1B (1.00) HTR1BHTR1DDRD2HTR2AHTR2C
SCHEMBL8901608 0.88 HTR1D (1.00) HTR1BHTR1DSLC6A4HTR1ANOS3
SCHEMBL8901617 0.88 HTR1D (1.00) HTR1BHTR1DSLC6A4HTR1ANOS3
SCHEMBL8893980 0.83 HTR1D (0.73) HTR1BHTR1DDRD2HTR2AHTR2C
SCHEMBL8686525 0.80 HTR1B (0.67) HTR1BHTR1DHTR1ANOS3NOS1
SCHEMBL8688640 0.80 HTR1B (0.67) HTR1BHTR1DHTR1ANOS3NOS1
SCHEMBL8688634 0.80 HTR1B (0.67) HTR1BHTR1DHTR1ANOS3NOS1
SCHEMBL8686765 0.78 HTR1D (1.00) HTR1BHTR1DHTR2A
SCHEMBL8901901 0.78 HTR1D (1.00) HTR1BHTR1DHTR1A
SCHEMBL8903385 0.77 HTR1D (0.98) HTR1BHTR1DHTR2A

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