SCHEMBL4728870

SCHEMBL4728870

O=C1N=Cc2ccc(CCCCN3CCN(c4cccc5c4CCC5)CC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.51
HTR2A P28223 16/20 0.51
HTR1A P08908 15/20 0.51
DRD3 P35462 2/20 0.42
DRD1 P21728 1/20 0.42
SLC6A4 P31645 2/20 0.41
DRD4 P21917 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 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
SCHEMBL4729236 0.99 DRD2 (0.52) DRD2HTR2AHTR1ADRD3DRD1
SCHEMBL4729897 0.85 DRD2 (0.71) DRD2HTR2AHTR1ASLC6A4
SCHEMBL4728999 0.84 DRD2 (0.70) DRD2HTR2AHTR1A
SCHEMBL4728953 0.84 DRD2 (0.70) DRD2HTR2AHTR1A
SCHEMBL4728053 0.84 HTR1A (0.52) DRD2HTR2AHTR1ASLC6A4HTR1D
SCHEMBL4727139 0.82 DRD2 (0.47) DRD2HTR2AHTR1ADRD3DRD1
SCHEMBL4728872 0.82 DRD2 (0.74) DRD2HTR2AHTR1ASLC6A4
SCHEMBL4729240 0.81 DRD2 (0.75) DRD2HTR2AHTR1ASLC6A4
SCHEMBL4727283 0.79 HTR1A (0.51) DRD2HTR2AHTR1ASLC6A4HTR2C
SCHEMBL4729394 0.78 HTR1A (0.52) DRD2HTR2AHTR1ASLC6A4HTR1D

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