SCHEMBL4727401

SCHEMBL4727401

c1ccc2c(N3CCN(CCOc4ccc5c(c4)CNC5)CC3)cccc2c1

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.90
HTR1A P08908 17/20 0.90
HTR2A P28223 16/20 0.90
KCNH2 Q12809 11/20 0.90
SLC6A4 P31645 5/20 0.62
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55

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
SCHEMBL4729511 0.95 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4725855 0.94 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4728930 0.89 DRD2 (0.91) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4730243 0.84 DRD2 (0.66) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4725686 0.84 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4725843 0.83 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4728033 0.78 HTR1A (0.71) DRD2HTR1AHTR2AKCNH2SLC6A4
SCHEMBL4728142 0.78 DRD2 (1.00) DRD2HTR1AHTR2AKCNH2SLC6A4
Hydrochloric Acid SCHEMBL31014123 0.77 MEN1 (0.57) DRD2HTR1AHTR2AKCNH2
SCHEMBL4725801 0.77 HTR1A (1.00) 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