SCHEMBL6238933

SCHEMBL6238933

COc1ccccc1N1CCN(CCCNC(=O)CCCC(=O)O)CC1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.72
DRD3 P35462 6/20 0.72
HTR1A P08908 4/20 0.70
HTR7 P34969 4/20 0.68
ADRA1A P35348 1/20 0.68
DRD4 P21917 1/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A4 P31645 1/20 0.67

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
SCHEMBL6264690 0.92 DRD2 (0.72) DRD2DRD3HTR1AHTR7ADRA1A
SCHEMBL1491175 0.88 HTR1A (0.71) DRD2DRD3HTR1AHTR7ADRA1A
SCHEMBL3162960 0.87 DRD2 (0.76) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL6237142 0.85 ALDH1A1 (0.65) DRD2DRD3HTR1AHTR7ADRA1A
SCHEMBL11030623 0.85 HTR1A (0.73) DRD2HTR1AHTR7
SCHEMBL14761584 0.84 DRD2 (0.94) DRD2DRD3HTR1AADRA1ADRD4
SCHEMBL19580052 0.83 DRD2 (0.81) DRD2DRD3HTR1AADRA1ADRD4
SCHEMBL9653869 0.83 DRD2 (0.78) DRD2DRD3HTR1AADRA1ADRD4
Benzene SCHEMBL10433203 0.83 HTR1A (0.79) DRD2DRD3HTR1AHTR7ADRA1A
SCHEMBL3160665 0.83 HTR1A (0.79) DRD2DRD3HTR1AHTR7ADRA1A

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-2005018643-A1 METABOLITES OF 1-{3-4`4-(2-METHOXYPHENYL) PIPERAZIN-1-YL!-PROPYL}-PIPERIDINE-2, 6-DIONE FOR USE IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA RANBAXY LABORATORIES LIMITED (IN) 2005-03-03 WO disclosed