SCHEMBL8036693

SCHEMBL8036693

COc1ccc2c(c1)OC(CCN)CC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
HTR6 P50406 1/20 0.39
MTNR1A P48039 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL7395858 0.89 FFAR1 (0.51) FFAR1HTR1AHTR1DDRD2DRD3
SCHEMBL7316922 0.84 FFAR1 (0.52) FFAR1HTR1AHTR1DDRD2DRD3
SCHEMBL7321911 0.84 FFAR1 (0.52) FFAR1HTR1AHTR1DDRD2DRD3
SCHEMBL7317620 0.83 FFAR1 (0.54) FFAR1HTR1AHTR1DDRD2DRD3
SCHEMBL7317624 0.83 FFAR1 (0.54) FFAR1HTR1AHTR1DDRD2DRD3
SCHEMBL7397923 0.77 HRH3 (0.50) FFAR1DRD2DRD3CA2HRH3
SCHEMBL8036686 0.77 HRH3 (0.60) FFAR1DRD2DRD3HRH3MTNR1A
SCHEMBL4234794 0.77 HRH3 (0.49) FFAR1DRD2DRD3CA2CA5A
SCHEMBL7323697 0.76 HTR1A (0.61) HTR1AHTR1DDRD2DRD3HTR6
SCHEMBL8036667 0.76 SLC6A2 (0.36) DRD2DRD3CA2DRD4

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-2000076990-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed