SCHEMBL8903222

SCHEMBL8903222

c1coc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.62
HTR1B P28222 13/20 0.62
MPO P05164 2/20 0.59
BRD4 O60885 1/20 0.58
HTR2A P28223 3/20 0.55

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
SCHEMBL8894085 0.98 HTR1D (0.59) HTR1DHTR1BMPOBRD4HTR2A
SCHEMBL8894091 0.78 SLC6A4 (0.49) HTR1DHTR1BBRD4
SCHEMBL8894945 0.78 SLC6A4 (0.60) HTR1DHTR1BBRD4
SCHEMBL8686765 0.77 HTR1D (1.00) HTR1DHTR1BMPOBRD4HTR2A
SCHEMBL8903385 0.76 HTR1D (0.98) HTR1DHTR1BMPOBRD4HTR2A
SCHEMBL8506914 0.75 HTR1D (0.71) HTR1DHTR1BMPOBRD4HTR2A
SCHEMBL2933511 0.75 HTR1A (0.75) HTR1DHTR1BMPOHTR2A
SCHEMBL733997 0.75 MPO (1.00) HTR1DHTR1BMPOHTR2A
SCHEMBL27095364 0.75 HTR7 (0.71) HTR1DHTR1BMPOHTR2A
SCHEMBL2934047 0.75 MPO (0.71) HTR1DHTR1BMPOBRD4HTR2A

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 1 patent. 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 disclosed