SCHEMBL4730243

SCHEMBL4730243

Fc1cccc2cccc(N3CCN(CCOc4ccc5c(c4)CNC5)CC3)c12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.66
HTR2A P28223 20/20 0.66
HTR1A P08908 18/20 0.66
KCNH2 Q12809 7/20 0.66
SLC6A4 P31645 13/20 0.64

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
SCHEMBL4727401 0.84 DRD2 (0.90) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4728930 0.84 DRD2 (0.91) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4725686 0.79 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729511 0.79 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4725862 0.79 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4725843 0.79 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4725855 0.78 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4725837 0.78 DRD2 (0.87) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4730200 0.78 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
Hydrochloric Acid SCHEMBL31014123 0.75 MEN1 (0.57) DRD2HTR2AHTR1AKCNH2

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