SCHEMBL4727701

SCHEMBL4727701

O=C1N=Cc2cc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.68
HTR2A P28223 19/20 0.68
HTR1A P08908 18/20 0.68
KCNH2 Q12809 11/20 0.66
SLC6A4 P31645 8/20 0.58
SLC6A2 P23975 1/20 0.50

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
SCHEMBL4728203 0.97 DRD2 (0.68) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729757 0.93 DRD2 (0.71) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729092 0.90 DRD2 (0.70) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729913 0.87 DRD2 (0.71) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4726611 0.87 DRD2 (0.54) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4726608 0.86 HTR1A (0.71) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4725836 0.86 DRD2 (0.67) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4727280 0.84 DRD2 (0.71) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4726778 0.84 HTR2A (0.49) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729259 0.83 DRD2 (0.70) DRD2HTR2AHTR1AKCNH2SLC6A4

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