SCHEMBL4725686

SCHEMBL4725686

Fc1ccc2cccc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 1.00
HTR2A P28223 18/20 1.00
HTR1A P08908 18/20 1.00
KCNH2 Q12809 11/20 1.00
SLC6A4 P31645 6/20 0.63
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 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
SCHEMBL4725843 0.97 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4728930 0.95 DRD2 (0.91) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729511 0.89 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4725855 0.86 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4728206 0.84 DRD2 (0.87) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729095 0.84 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4727401 0.84 DRD2 (0.90) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4725929 0.83 DRD2 (0.73) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4727706 0.82 DRD2 (0.87) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4727302 0.82 DRD2 (0.69) DRD2HTR2AHTR1AKCNH2SLC6A4

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