SCHEMBL5266091

SCHEMBL5266091

CN1CCN(c2cccc3c2OCN3)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.45
DRD3 P35462 5/20 0.45
DRD4 P21917 3/20 0.44
HTR2A P28223 2/20 0.44
DRD1 P21728 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR1A P08908 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTR2C P28335 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
ADRB1 P08588 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL13533082 0.83 ADRB1 (0.56) DRD2DRD3HTR2ADRD1HTR1A
SCHEMBL13741102 0.73 DRD2 (0.43) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL8531362 0.72 CREBBP (0.40) ADRA2CHTR2C
SCHEMBL6863375 0.72 DRD2 (0.80) DRD2DRD3DRD4HTR1A
SCHEMBL5356729 0.72 GAA (0.51) DRD2DRD3DRD4ADRA2CHTR1A
SCHEMBL24605901 0.71 DRD2 (0.54) DRD2DRD3HTR2AHTR1AMAPK1
SCHEMBL13499602 0.71 ADRB1 (0.67) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL9049827 0.71 DRD2 (0.54) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL31051847 0.71 ADRB1 (0.67) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL15311895 0.70 DRD2 (0.46) DRD2DRD3DRD4HTR2AADRA2C

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-1742632-A2 TRANSDERMAL IONTOPHORETIC DELIVERY OF PIPERAZINYL-2(3H)-BENZOXAZOLONE COMPOUNDS Solvay Pharmaceuticals B.V. (NL) 2007-01-17 EP disclosed
WO-2005107754-A2 TRANSDERMAL IONTOPHORETIC DELIVERY OF PIPERAZINYL-2(3H)-BENZOXAZOLONE COMPOUNDS SOLVAY PHARMACEUTICALS B.V. (NL) 2005-11-17 WO disclosed