SCHEMBL8765343

SCHEMBL8765343

CSCCNC1CCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.57
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
DRD4 P21917 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
HTR1D P28221 2/20 0.41
PNMT P11086 5/20 0.41
ADRA2A P08913 3/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
HTR1B P28222 1/20 0.41
NPY1R P25929 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL8185940 0.77 GRIN2B (0.86) GRIN2BDRD2DRD3HDAC8
SCHEMBL8765336 0.77 GRIN2B (0.48) GRIN2BDRD2HDAC8PNMTADRA2A
Hydrochloric Acid SCHEMBL8187601 0.76 GRIN2B (0.84) GRIN2BDRD2DRD3HDAC8
SCHEMBL4107613 0.75 MTNR1A (0.62) GRIN2BDRD2DRD3DRD4HDAC8
SCHEMBL4107609 0.75 MTNR1A (0.62) GRIN2BDRD2DRD3DRD4HDAC8
SCHEMBL12670596 0.74 GRIN2B (0.61) GRIN2BDRD2HDAC8PNMTADRA2A
SCHEMBL8192687 0.73 GRIN2B (0.67) GRIN2BHDAC8
SCHEMBL6256301 0.73 GRIN2B (0.52) GRIN2BDRD3PNMTADRA2AADRA2B
SCHEMBL8765338 0.72 GRIN2B (0.46) GRIN2BDRD2DRD3DRD4PNMT
SCHEMBL23196100 0.72 PNMT (0.54) GRIN2BPNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed