SCHEMBL4726294

SCHEMBL4726294

O=C1NCc2ccc(OCCCCl)c(F)c21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.54
HTR2A P28223 20/20 0.54
SLC6A4 P31645 20/20 0.54
HTR1A P08908 17/20 0.54

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
SCHEMBL4729622 0.96 DRD2 (0.57) DRD2HTR2ASLC6A4HTR1A
SCHEMBL7944479 0.79 DRD2 (0.46) DRD2HTR2ASLC6A4HTR1A
SCHEMBL4725954 0.77 DRD2 (0.43) DRD2HTR2ASLC6A4HTR1A
SCHEMBL31158741 0.75 HTR2A (0.42) DRD2HTR2ASLC6A4HTR1A
SCHEMBL4729089 0.72 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1A
SCHEMBL29875305 0.72 AURKA (0.40) DRD2HTR2ASLC6A4HTR1A
SCHEMBL4729628 0.71 DRD2 (0.53) DRD2HTR2ASLC6A4HTR1A
SCHEMBL1335378 0.71 PIM1 (0.40) DRD2HTR2ASLC6A4HTR1A
SCHEMBL4728122 0.71 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1A
SCHEMBL4726439 0.69 DRD2 (1.00) DRD2HTR2ASLC6A4HTR1A

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 disclosed