SCHEMBL4728053

SCHEMBL4728053

O=C1N=Cc2ccc(CCCCN3CCN(c4cccc5c4CCO5)CC3)cc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.52
DRD2 P14416 9/20 0.52
HTR2A P28223 7/20 0.52
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
SLC6A4 P31645 1/20 0.40

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
SCHEMBL4729270 0.86 DRD2 (0.71) HTR1ADRD2HTR2ASLC6A4
SCHEMBL4725919 0.85 DRD2 (0.70) HTR1ADRD2HTR2A
SCHEMBL4729236 0.84 DRD2 (0.52) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL4728870 0.84 DRD2 (0.51) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL4728059 0.82 DRD2 (0.75) HTR1ADRD2HTR2ASLC6A4
SCHEMBL4727283 0.79 HTR1A (0.51) HTR1ADRD2HTR2AHTR1BSLC6A4
SCHEMBL4727139 0.79 DRD2 (0.47) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL4729394 0.77 HTR1A (0.52) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL4727713 0.72 DRD2 (0.72) HTR1ADRD2HTR2ASLC6A4
SCHEMBL4728953 0.70 DRD2 (0.70) HTR1ADRD2HTR2A

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