SCHEMBL4729231

SCHEMBL4729231

O=C1N=Cc2ccc(OCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.66
DRD3 P35462 2/20 0.58
HTR1A P08908 2/20 0.58
HTR2A P28223 2/20 0.58
HTR7 P34969 2/20 0.58
HTR2B P41595 2/20 0.58
HTR6 P50406 2/20 0.58
HTR3E A5X5Y0 1/20 0.58
MEN1 O00255 1/20 0.58
MLNR O43193 1/20 0.58
HTR3B O95264 1/20 0.58
ABCB11 O95342 1/20 0.58
ESR1 P03372 1/20 0.58
PGR P06401 1/20 0.58
ADRB2 P07550 1/20 0.58
CHRM2 P08172 1/20 0.58
ABCB1 P08183 1/20 0.58
ADRB1 P08588 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58

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
SCHEMBL4729767 0.97 DRD2 (0.66) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL4728158 0.92 DRD2 (0.66) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL4725820 0.90 DRD2 (0.66) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL4726945 0.88 DRD2 (0.52) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL4728141 0.85 DRD2 (0.68) DRD2HTR1AHTR2ASLC6A4KCNH2
SCHEMBL4728953 0.82 DRD2 (0.70) DRD2HTR1AHTR2AKCNH2
SCHEMBL4725861 0.82 DRD2 (0.69) DRD2HTR1AHTR2AMAOASLC6A4
SCHEMBL4728999 0.82 DRD2 (0.70) DRD2HTR1AHTR2AKCNH2
SCHEMBL4725799 0.82 DRD2 (0.68) DRD2HTR1AHTR2ASLC6A4KCNH2
SCHEMBL4732515 0.81 DRD2 (0.48) DRD2DRD3HTR1AHTR2AHTR7

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