SCHEMBL22694040

SCHEMBL22694040

CCCN(CCC)C1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.62
DRD2 P14416 12/20 0.59
DRD4 P21917 4/20 0.55
DRD1 P21728 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
HTR1A P08908 4/20 0.54
HTR7 P34969 3/20 0.54
LMNA P02545 1/20 0.53
PMP22 Q01453 1/20 0.53
DRD5 P21918 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
SCHEMBL22703437 1.00 DRD3 (0.62) DRD3DRD2DRD4DRD1CYP1A2
SCHEMBL22694038 0.88 DRD2 (0.62) DRD3DRD2DRD4DRD1CYP1A2
SCHEMBL7521684 0.88 DRD2 (0.62) DRD3DRD2DRD4DRD1CYP1A2
SCHEMBL7521679 0.88 DRD2 (0.62) DRD3DRD2DRD4DRD1CYP1A2
Hydrochloric Acid SCHEMBL7516146 0.87 DRD2 (0.61) DRD3DRD2DRD4DRD1CYP1A2
Hydrochloric Acid SCHEMBL7516152 0.87 DRD2 (0.61) DRD3DRD2DRD4DRD1CYP1A2
SCHEMBL22703442 0.86 DRD3 (0.53) DRD3DRD2DRD4DRD1CYP1A2
SCHEMBL7510139 0.85 DRD2 (0.53) DRD3DRD2DRD4DRD1CYP1A2
SCHEMBL7510149 0.85 DRD2 (0.53) DRD3DRD2DRD4DRD1CYP1A2
SCHEMBL10880061 0.83 DRD3 (0.53) DRD3DRD2DRD4DRD1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020234276-A1 NEW CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE H. LUNDBECK A/S (DK) 2020-11-26 WO disclosed
WO-2020234277-A1 CATECHOLAMINE CARBAMATE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON S DISEASE H. LUNDBECK A/S (DK) 2020-11-26 WO disclosed
WO-2020234271-A1 A PROCESS FOR THE MANUFACTURE OF (2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(((4AR,10AR)-7-HYDROXY-1-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO[G]QUINOLIN-6-YL)OXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID H. LUNDBECK A/S (DK) 2020-11-26 WO disclosed