SCHEMBL4727243

SCHEMBL4727243

O=C1N=Cc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)cc21

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.72
HTR2A P28223 15/20 0.72
HTR1A P08908 13/20 0.72
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A4 P31645 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL4726930 0.97 DRD2 (0.72) DRD2HTR2AHTR1AKCNH2
SCHEMBL4729897 0.86 DRD2 (0.71) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4727247 0.84 DRD2 (1.00) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4728953 0.84 DRD2 (0.70) DRD2HTR2AHTR1AKCNH2
SCHEMBL4728999 0.84 DRD2 (0.70) DRD2HTR2AHTR1AKCNH2
SCHEMBL4727713 0.83 DRD2 (0.72) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4729270 0.83 DRD2 (0.71) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4726958 0.82 DRD2 (0.71) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4726933 0.81 DRD2 (1.00) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4727208 0.81 DRD2 (0.72) DRD2HTR2AHTR1AKCNH2

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