SCHEMBL4725815

SCHEMBL4725815

O=C1N=Cc2cc(OCCCCN3CCN(c4cccc(Cl)c4C(F)(F)F)CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.55
HTR1A P08908 4/20 0.55
HTR2A P28223 4/20 0.55
HTR2B P41595 3/20 0.49
DRD3 P35462 3/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
DRD5 P21918 2/20 0.49
HTR2C P28335 2/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
MEN1 O00255 1/20 0.49
MLNR O43193 1/20 0.49
HTR3B O95264 1/20 0.49
ABCB11 O95342 1/20 0.49
ESR1 P03372 1/20 0.49
PGR P06401 1/20 0.49
ADRB2 P07550 1/20 0.49
CHRM2 P08172 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
SCHEMBL4726945 0.90 DRD2 (0.52) DRD2HTR1AHTR2AHTR2BDRD3
SCHEMBL4725820 0.88 DRD2 (0.66) DRD2HTR1AHTR2AHTR2BDRD3
SCHEMBL4728158 0.86 DRD2 (0.66) DRD2HTR1AHTR2AHTR2BDRD3
SCHEMBL4725817 0.83 DRD2 (0.59) DRD2HTR1AHTR2ASLC6A4KCNH2
SCHEMBL4726611 0.81 DRD2 (0.54) DRD2HTR1AHTR2AHTR6SLC6A4
SCHEMBL4729767 0.81 DRD2 (0.66) DRD2HTR1AHTR2AHTR2BDRD3
SCHEMBL4727163 0.81 DRD2 (0.68) DRD2HTR1AHTR2ASLC6A4KCNH2
SCHEMBL4725836 0.81 DRD2 (0.67) DRD2HTR1AHTR2AMAOASLC6A4
SCHEMBL4727701 0.79 DRD2 (0.68) DRD2HTR1AHTR2ASLC6A2SLC6A4
SCHEMBL4729231 0.78 DRD2 (0.66) DRD2HTR1AHTR2AHTR2BDRD3

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