SCHEMBL22710198

SCHEMBL22710198

C#CCCN(CCC)[C@H]1CCc2c(ccc(O)c2O)C1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.81
DRD1 P21728 2/20 0.81
DRD3 P35462 7/20 0.59
DRD4 P21917 3/20 0.59
HTR1A P08908 1/20 0.59
DRD5 P21918 1/20 0.59
HTR7 P34969 1/20 0.59
ADRB2 P07550 1/20 0.59

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
SCHEMBL7362530 0.90 DRD2 (1.00) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7788774 0.90 DRD2 (1.00) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7788379 0.81 DRD2 (0.81) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7781190 0.81 DRD2 (0.81) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL22710197 0.81 DRD2 (0.53) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL8742154 0.81 DRD2 (0.80) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7781207 0.81 DRD2 (0.80) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7788407 0.80 DRD2 (0.78) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7788401 0.80 DRD2 (0.78) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7785685 0.80 DRD2 (0.78) DRD2DRD1DRD3DRD4HTR1A

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-2020234274-A1 NEW CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE H. LUNDBECK A/S (DK) 2020-11-26 WO disclosed