SCHEMBL4726602

SCHEMBL4726602

O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(C(F)(F)F)cc45)CC3)cc21

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.80
DRD2 P14416 20/20 0.80
HTR2A P28223 20/20 0.80
KCNH2 Q12809 9/20 0.78
SLC6A4 P31645 4/20 0.78

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
SCHEMBL4780996 0.93 HTR1A (0.80) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4729761 0.89 DRD2 (1.00) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4725801 0.88 HTR1A (1.00) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4729261 0.86 HTR1A (1.00) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4729095 0.86 DRD2 (1.00) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4728142 0.85 DRD2 (1.00) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4726610 0.84 HTR1A (1.00) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4728119 0.84 DRD2 (1.00) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4726600 0.84 DRD2 (0.57) HTR1ADRD2HTR2AKCNH2SLC6A4
SCHEMBL4727163 0.82 DRD2 (0.68) HTR1ADRD2HTR2AKCNH2SLC6A4

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