SCHEMBL4727283

SCHEMBL4727283

O=C1N=Cc2ccc(CCCCN3CCN(c4cccc5ccsc45)CC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.51
DRD2 P14416 15/20 0.51
HTR2A P28223 14/20 0.51
SLC6A4 P31645 1/20 0.44
HTR7 P34969 2/20 0.42
ADRA1D P25100 1/20 0.41
HTR1B P28222 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL4727286 0.82 DRD2 (0.54) HTR1ADRD2HTR2ASLC6A4
SCHEMBL4729394 0.81 HTR1A (0.52) HTR1ADRD2HTR2ASLC6A4HTR1B
SCHEMBL4727139 0.80 DRD2 (0.47) HTR1ADRD2HTR2ASLC6A4ADRA1D
SCHEMBL4729236 0.80 DRD2 (0.52) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL4728053 0.79 HTR1A (0.52) HTR1ADRD2HTR2ASLC6A4HTR1B
SCHEMBL4728870 0.79 DRD2 (0.51) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL4725799 0.70 DRD2 (0.68) HTR1ADRD2HTR2ASLC6A4
SCHEMBL4728141 0.69 DRD2 (0.68) HTR1ADRD2HTR2ASLC6A4
SCHEMBL4730198 0.69 DRD2 (0.70) HTR1ADRD2HTR2ASLC6A4
SCHEMBL20511890 0.68 DRD2 (0.76) HTR1ADRD2HTR2ASLC6A4HTR7

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