SCHEMBL4725569

SCHEMBL4725569

Fc1ccc2scc(N3CCN(CCOc4ccc5c(c4)CNC5)CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.62
DRD2 P14416 8/20 0.62
HTR2A P28223 8/20 0.62
KCNH2 Q12809 7/20 0.62
MAPT P10636 3/20 0.46
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL4728831 0.95 DRD2 (0.69) HTR1ADRD2HTR2AKCNH2MAPT
SCHEMBL4728930 0.82 DRD2 (0.91) HTR1ADRD2HTR2AKCNH2SLC6A2
SCHEMBL4729828 0.79 HTR1A (0.72) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4726781 0.79 HTR1A (0.62) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4725686 0.77 DRD2 (1.00) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4725843 0.76 DRD2 (1.00) HTR1ADRD2HTR2AKCNH2SLC6A2
SCHEMBL4729824 0.75 DRD2 (0.51) HTR1ADRD2HTR2AKCNH2MAPT
SCHEMBL4726778 0.75 HTR2A (0.49) HTR1ADRD2HTR2AKCNH2MAPT
SCHEMBL4727401 0.74 DRD2 (0.90) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4730243 0.73 DRD2 (0.66) HTR1ADRD2HTR2AKCNH2SLC6A4

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