SCHEMBL8765980

SCHEMBL8765980

NC1C=Cc2cc([N+](=O)[O-])ccc2CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.41
PNMT P11086 5/20 0.41
ADRA2A P08913 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
TLR9 Q9NR96 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LAP3 P28838 1/20 0.38
CA9 Q16790 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 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
SCHEMBL11523799 0.80 GRIN2B (0.41) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL11592050 0.77 GRIN2B (0.41) GRIN2BPNMTADRA2ALMNAMAPT
SCHEMBL467795 0.74 GRIN2B (0.55) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL1919026 0.74 GRIN2B (0.55) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL3442079 0.74 CA9 (0.47) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL8765757 0.73 GRIN2B (0.63) GRIN2BMEN1MAPTKMT2AALDH1A1
SCHEMBL6327324 0.73 HSP90AA1 (0.45) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL6277445 0.73 HSP90AA1 (0.45) GRIN2BPNMTADRA2AMEN1LMNA
SCHEMBL11591650 0.73 GRIN2B (0.40) GRIN2BPNMTADRA2AMEN1LMNA
Hydrochloric Acid SCHEMBL8176659 0.72 LAP3 (0.47) GRIN2BPNMTADRA2AMEN1LMNA

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