SCHEMBL8765336

SCHEMBL8765336

CSC(C)NC1CCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.48
HDAC8 Q9BY41 2/20 0.46
PNMT P11086 7/20 0.43
ADRA2A P08913 5/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.37
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL8765343 0.77 GRIN2B (0.57) GRIN2BHDAC8PNMTADRA2AADRA2B
SCHEMBL4736395 0.75 GRIN2B (0.48) GRIN2BHDAC8PNMTADRA2AADRA2B
SCHEMBL4736399 0.75 GRIN2B (0.48) GRIN2BHDAC8PNMTADRA2AADRA2B
SCHEMBL12670596 0.74 GRIN2B (0.61) GRIN2BHDAC8PNMTADRA2AADRA2B
SCHEMBL4107613 0.73 MTNR1A (0.62) GRIN2BHDAC8PNMTADRA2AADRA2B
SCHEMBL4107609 0.73 MTNR1A (0.62) GRIN2BHDAC8PNMTADRA2AADRA2B
SCHEMBL23196100 0.73 PNMT (0.54) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL9359482 0.72 MTNR1A (0.44) GRIN2BHDAC8CRHBPCRHR2
SCHEMBL9716393 0.71 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
SCHEMBL2062472 0.71 GRIN2B (0.64) GRIN2BHDAC8PNMTADRA2AADRA2B

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