SCHEMBL4728831

SCHEMBL4728831

Fc1ccc2scc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.69
HTR1A P08908 9/20 0.69
HTR2A P28223 9/20 0.69
KCNH2 Q12809 8/20 0.69
HRH3 Q9Y5N1 2/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL4725569 0.95 HTR1A (0.62) DRD2HTR1AHTR2AKCNH2HRH3
SCHEMBL4729828 0.82 HTR1A (0.72) DRD2HTR1AHTR2AKCNH2
SCHEMBL4726781 0.82 HTR1A (0.62) DRD2HTR1AHTR2AKCNH2
SCHEMBL4725686 0.82 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2
SCHEMBL4725843 0.79 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2
SCHEMBL4726778 0.78 HTR2A (0.49) DRD2HTR1AHTR2AKCNH2HRH3
SCHEMBL4729824 0.78 DRD2 (0.51) DRD2HTR1AHTR2AKCNH2HRH3
SCHEMBL4728930 0.77 DRD2 (0.91) DRD2HTR1AHTR2AKCNH2
SCHEMBL9018059 0.75 HTR2A (0.56) DRD2HTR1AHTR2AKCNH2MAPT
SCHEMBL4729511 0.74 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2

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-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO claimed