SCHEMBL4729903

SCHEMBL4729903

O=C1N=Cc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)c(F)c21

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.69
HTR2A P28223 20/20 0.69
SLC6A4 P31645 14/20 0.69
HTR1A P08908 18/20 0.66
KCNH2 Q12809 3/20 0.53

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
SCHEMBL4730215 0.97 DRD2 (0.70) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4726433 0.93 DRD2 (0.69) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4729085 0.91 DRD2 (0.67) DRD2HTR2ASLC6A4HTR1A
SCHEMBL4728105 0.91 DRD2 (0.70) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4728117 0.85 DRD2 (0.68) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4727280 0.84 DRD2 (0.71) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4729092 0.83 DRD2 (0.70) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4729913 0.82 DRD2 (0.71) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4729909 0.82 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4728203 0.82 DRD2 (0.68) DRD2HTR2ASLC6A4HTR1AKCNH2

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