SCHEMBL5307175

SCHEMBL5307175

CC(C)(C)OC(=O)N1CCN(CCCN)CC1.CC(C)(C)OC(=O)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
MAOB P27338 4/20 0.51
ALDH1A1 P00352 4/20 0.49
HTR1A P08908 4/20 0.49
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX12 P18054 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL29391217 0.94 DRD2 (0.56) DRD2DRD3MAOBALDH1A1HTR1A
SCHEMBL17844904 0.94 DRD2 (0.56) DRD2DRD3MAOBALDH1A1HTR1A
SCHEMBL829637 0.92 ALDH1A1 (0.57) DRD2DRD3MAOBALDH1A1HTR1A
SCHEMBL29944565 0.92 ALDH1A1 (0.57) DRD2DRD3MAOBALDH1A1HTR1A
SCHEMBL12263981 0.91 MAOB (0.57) DRD2DRD3MAOBALDH1A1HTR1A
SCHEMBL29263692 0.91 MAOB (0.57) DRD2DRD3MAOBALDH1A1HTR1A
SCHEMBL29659287 0.87 KMT2A (0.57) DRD2DRD3ALDH1A1HTR1AMEN1
SCHEMBL578012 0.87 KMT2A (0.57) DRD2DRD3ALDH1A1HTR1AMEN1
SCHEMBL22123837 0.85 ALDH1A1 (0.49) DRD2DRD3MAOBALDH1A1HTR1A
SCHEMBL25030669 0.85 DRD2 (0.49) DRD2DRD3MAOBALDH1A1HTR1A

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
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed