SCHEMBL8845136

SCHEMBL8845136

COc1ccc2c(c1)OC(CNCCc1ccccc1)CC2

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.62
HTR1A P08908 1/20 0.56
HTR1D P28221 1/20 0.56
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55
DRD1 P21728 1/20 0.55
DRD5 P21918 1/20 0.55
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51

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
SCHEMBL8845133 0.94 HTR6 (0.66) HTR6HTR1AHTR1DDRD2DRD4
SCHEMBL8844926 0.93 HTR6 (0.64) HTR6HTR1AHTR1DGRIN1GRIN2B
SCHEMBL8844943 0.89 DRD2 (0.69) HTR6DRD2DRD4DRD3DRD1
SCHEMBL8315052 0.86 ADRA1D (0.63) HTR1AHTR1DADRA1DADRA1AADRA1B
SCHEMBL7323697 0.85 HTR1A (0.61) HTR6HTR1AHTR1DDRD2DRD4
SCHEMBL8844813 0.85 HTR6 (0.63) HTR6HTR1AHTR1D
SCHEMBL7256045 0.83 HTR6 (0.63) HTR6DRD2DRD4DRD3DRD1
SCHEMBL7319400 0.83 HTR1A (0.64) HTR6HTR1AHTR1DDRD2DRD4
SCHEMBL8845143 0.83 DRD2 (0.78) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7315046 0.82 DRD2 (0.64) HTR6HTR1AHTR1DDRD2DRD4

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
US-5670667-A DOPAMINE INHIBITORS FOR PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-23 US disclosed