SCHEMBL4728206

SCHEMBL4728206

O=C1NCc2cc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)ccc21

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.87
HTR2A P28223 20/20 0.87
HTR1A P08908 19/20 0.87
KCNH2 Q12809 10/20 0.87
SLC6A4 P31645 10/20 0.77

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
SCHEMBL4727706 0.97 DRD2 (0.87) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729095 0.93 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729761 0.90 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4727284 0.87 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4784191 0.86 HTR1A (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4729914 0.84 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4725686 0.84 DRD2 (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4726614 0.84 HTR1A (0.70) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4726610 0.83 HTR1A (1.00) DRD2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL4725837 0.83 DRD2 (0.87) 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