SCHEMBL8901617

SCHEMBL8901617

OCC1CCCN1CCc1c[nH]c2ccc(-c3cccs3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 1.00
HTR1B P28222 13/20 1.00
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
SLC6A4 P31645 2/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL8901608 1.00 HTR1D (1.00) HTR1DHTR1BALDH1A1LMNANOS3
SCHEMBL8903278 0.88 HTR1B (1.00) HTR1DHTR1BNOS3NOS1SLC6A4
SCHEMBL8903284 0.88 HTR1B (1.00) HTR1DHTR1BNOS3NOS1SLC6A4
SCHEMBL8893980 0.83 HTR1D (0.73) HTR1DHTR1BSLC6A4
SCHEMBL27191666 0.80 HTR1D (0.67) HTR1DHTR1BSLC6A4HTR1AHTR7
SCHEMBL8686765 0.80 HTR1D (1.00) HTR1DHTR1B
SCHEMBL27206330 0.80 HTR1D (0.67) HTR1DHTR1BSLC6A4HTR1AHTR7
SCHEMBL8686525 0.80 HTR1B (0.67) HTR1DHTR1BNOS3NOS1HTR1A
SCHEMBL8688634 0.80 HTR1B (0.67) HTR1DHTR1BNOS3NOS1HTR1A
SCHEMBL8688640 0.80 HTR1B (0.67) HTR1DHTR1BNOS3NOS1HTR1A

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