SCHEMBL4729259

SCHEMBL4729259

O=C1N=Cc2ccc(OCCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)cc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.70
HTR1A P08908 17/20 0.70
HTR2A P28223 17/20 0.70
KCNH2 Q12809 12/20 0.70
SLC6A4 P31645 6/20 0.55
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1E P28566 1/20 0.47
GPR183 P32249 1/20 0.47

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
SCHEMBL4728115 0.97 DRD2 (0.70) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4726608 0.90 HTR1A (0.71) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4729757 0.90 DRD2 (0.71) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4725799 0.89 DRD2 (0.68) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4730198 0.89 DRD2 (0.70) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4729092 0.88 DRD2 (0.70) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4784190 0.88 DRD2 (0.70) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4780994 0.86 DRD2 (0.57) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4726600 0.86 DRD2 (0.57) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4728141 0.86 DRD2 (0.68) DRD2HTR1AHTR2AKCNH2SLC6A4

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