SCHEMBL5308285

SCHEMBL5308285

COc1ccccc1N1CCN(CCNC(=O)CN2C(=O)C3CC(O)C(O)CC3C2=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1B P35368 1/20 0.56
HTR1A P08908 1/20 0.56

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
SCHEMBL5307374 0.91 SLC6A4 (0.55) DRD2DRD4DRD3ADRA1AADRA1D
SCHEMBL5302822 0.91 ADRA1A (0.65) DRD2DRD4DRD3ADRA1AADRA1D
SCHEMBL5325863 0.90 DRD2 (0.59) DRD2DRD4DRD3ADRA1AADRA1D
SCHEMBL5310370 0.87 ADRA1A (0.50) DRD2DRD3ADRA1AADRA1DADRA1B
SCHEMBL5329403 0.81 ADRA1A (0.65) DRD2DRD4DRD3ADRA1AADRA1D
SCHEMBL5328407 0.80 SLC6A4 (0.55) DRD2DRD4DRD3ADRA1AADRA1D
SCHEMBL5306802 0.77 ADRA1A (0.49) DRD2DRD3ADRA1AADRA1DADRA1B
SCHEMBL9652838 0.77 DRD2 (0.69) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL7703653 0.75 DRD2 (0.83) DRD2DRD4DRD3ADRA1AADRA1D
SCHEMBL8446460 0.74 DRD2 (0.85) DRD2DRD4ADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007029156-A2 ISOINDOLEDIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
WO-2007029156-A2 ISOINDOLEDIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed