SCHEMBL4727286

SCHEMBL4727286

O=C1NCc2ccc(CCCCN3CCN(c4cccc5ccsc45)CC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.54
HTR1A P08908 19/20 0.54
HTR2A P28223 19/20 0.54
KCNH2 Q12809 9/20 0.54
SLC6A4 P31645 2/20 0.54

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
SCHEMBL4727283 0.82 HTR1A (0.51) DRD2HTR1AHTR2ASLC6A4
SCHEMBL4729397 0.81 HTR1A (0.75) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4729240 0.80 DRD2 (0.75) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4728872 0.80 DRD2 (0.74) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4727140 0.80 DRD2 (0.54) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4728059 0.79 DRD2 (0.75) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4725801 0.70 HTR1A (1.00) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4728142 0.69 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4730200 0.69 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL20511890 0.68 DRD2 (0.76) DRD2HTR1AHTR2ASLC6A4

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