SCHEMBL4726439

SCHEMBL4726439

O=C1NCc2ccc(OCCCN3CCN(c4cccc5cc(F)ccc45)CC3)c(F)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 1.00
HTR2A P28223 20/20 1.00
SLC6A4 P31645 18/20 1.00
HTR1A P08908 18/20 1.00
KCNH2 Q12809 2/20 0.73

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
SCHEMBL4728106 0.97 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4729909 0.93 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4729089 0.91 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4730218 0.90 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4729807 0.85 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4728122 0.85 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4784191 0.84 HTR1A (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4730219 0.83 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4726610 0.82 HTR1A (1.00) DRD2HTR2ASLC6A4HTR1AKCNH2
SCHEMBL4726433 0.82 DRD2 (0.69) DRD2HTR2ASLC6A4HTR1AKCNH2

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