SCHEMBL8047488

SCHEMBL8047488

CCOC(=O)c1c(NC(=O)NCCN2CCN(c3ccccc3OC)CC2)sc(C)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.56
DRD4 P21917 8/20 0.56
DRD3 P35462 7/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.55
HTR1A P08908 3/20 0.55
ADRA2A P08913 3/20 0.55
DRD1 P21728 3/20 0.55
DRD5 P21918 3/20 0.55
HTR2A P28223 3/20 0.55
ADRA1A P35348 3/20 0.55

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
SCHEMBL10728158 0.90 LMNA (0.62) DRD2DRD4DRD3LMNAMAPT
SCHEMBL8054110 0.85 DRD2 (0.59) DRD2DRD4DRD3LMNAMAPT
SCHEMBL8048553 0.85 MAPT (0.58) DRD2DRD4DRD3LMNAMAPT
SCHEMBL10732710 0.81 USP2 (0.60) DRD2DRD4DRD3LMNAMAPT
SCHEMBL10733643 0.81 LMNA (0.57) DRD2DRD4DRD3LMNAMAPT
SCHEMBL8051079 0.80 LMNA (0.55) DRD2DRD4DRD3LMNAMAPT
SCHEMBL8051341 0.77 ALDH1A1 (0.64) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL10728148 0.77 DRD2 (0.60) DRD2DRD4DRD3HTR1AADRA2A
SCHEMBL13837687 0.74 ALDH1A1 (0.73) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL9760311 0.73 HTR1A (0.58) DRD2DRD4HTR1AADRA2AHTR2A

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
US-6166019-A Piperazinyl pyrimidine dione compounds selective for adrenoceptors ABBOTT LABORATORIES (US) 2000-12-26 US disclosed
US-6153614-A Piperazinyl pyrimidine dione compounds selective for adrenoceptors ABBOTT LABORATORIES (US) 2000-11-28 US disclosed