SCHEMBL4728027

SCHEMBL4728027

O=C1NCc2ccc(OCCCCl)cc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.52
HTR2A P28223 19/20 0.52
HTR1A P08908 18/20 0.52
KCNH2 Q12809 9/20 0.52
SLC6A4 P31645 2/20 0.51
JAK2 O60674 1/20 0.48
NTRK1 P04629 1/20 0.48
MET P08581 1/20 0.48
FGFR1 P11362 1/20 0.48
PRKACA P17612 1/20 0.48
KDR P35968 1/20 0.48
MAP2K2 P36507 1/20 0.48
FLT3 P36888 1/20 0.48
GSK3B P49841 1/20 0.48
MAP2K1 Q02750 1/20 0.48
MST1R Q04912 1/20 0.48
NTRK3 Q16288 1/20 0.48
NTRK2 Q16620 1/20 0.48
CAMK1D Q8IU85 1/20 0.48

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
SCHEMBL4727033 0.95 DRD2 (0.53) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4728129 0.88 GRM5 (0.42) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL1037269 0.85 DRD2 (0.56) DRD2
SCHEMBL13462020 0.85 DRD2 (0.49) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729073 0.84 DRD2 (0.43) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL1038435 0.81 DRD2 (0.57) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL13027971 0.81 DRD2 (0.47) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL16519650 0.80 DRD2 (0.46) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4505901 0.78 GSTP1 (0.49) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL1036450 0.77 KCNA5 (0.53) DRD2

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