SCHEMBL4729856

SCHEMBL4729856

O=C1NCc2cc(F)c(OCCCCCl)cc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.56
HTR2A P28223 19/20 0.56
SLC6A4 P31645 18/20 0.56
HTR1A P08908 18/20 0.56
KCNH2 Q12809 2/20 0.39
DAPK3 O43293 1/20 0.38
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK1 Q13464 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL4729628 0.96 DRD2 (0.53) DRD2HTR2ASLC6A4HTR1ADAPK3
SCHEMBL4780926 0.76 CLK4 (0.47) DRD2HTR2ASLC6A4HTR1ADAPK3
SCHEMBL4729073 0.74 DRD2 (0.43) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4727033 0.74 DRD2 (0.53) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4726939 0.73 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL1079809 0.73 CLK4 (0.51) DRD2HTR2ASLC6A4HTR1ADAPK3
SCHEMBL4729622 0.72 DRD2 (0.57) DRD2HTR2ASLC6A4HTR1A
SCHEMBL4729111 0.72 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4728964 0.71 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL24667721 0.71 GSK3B (0.45) DRD2HTR2ASLC6A4HTR1ADAPK3

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 disclosed