SCHEMBL4725836

SCHEMBL4725836

O=C1N=Cc2cc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.67
HTR2A P28223 18/20 0.67
HTR1A P08908 16/20 0.67
SLC6A4 P31645 12/20 0.67
KCNH2 Q12809 6/20 0.67
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL4730198 0.93 DRD2 (0.70) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4725861 0.90 DRD2 (0.69) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4726611 0.88 DRD2 (0.54) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4726936 0.88 DRD2 (0.70) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4727701 0.86 DRD2 (0.68) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4729105 0.85 DRD2 (0.69) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4728203 0.83 DRD2 (0.68) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4725820 0.83 DRD2 (0.66) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4725837 0.82 DRD2 (0.87) DRD2HTR2AHTR1ASLC6A4KCNH2
SCHEMBL4729259 0.81 DRD2 (0.70) DRD2HTR2AHTR1ASLC6A4KCNH2

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