SCHEMBL8765798

SCHEMBL8765798

O=[N+]([O-])c1ccc2c(c1)C(O)CC(NCc1ccccc1)CC2

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.70
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
BACE1 P56817 2/20 0.48
POLB P06746 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
SCHEMBL6577200 0.82 GRIN2B (0.63) GRIN2BKDM4EALDH1A1BCHEACHE
SCHEMBL8912128 0.82 GRIN2B (0.68) GRIN2BKDM4EALDH1A1BCHEACHE
SCHEMBL8185940 0.81 GRIN2B (0.86) GRIN2BKDM4EALDH1A1BCHEACHE
SCHEMBL11553032 0.81 GRIN2B (0.61) GRIN2BBCHEACHEBACE1
Hydrochloric Acid SCHEMBL8176663 0.81 GRIN2B (0.67) GRIN2BKDM4EALDH1A1BCHEACHE
Hydrochloric Acid SCHEMBL8187601 0.80 GRIN2B (0.84) GRIN2BBCHEACHEBACE1POLB
SCHEMBL8185330 0.77 KDM4E (0.71) GRIN2BKDM4EALDH1A1BCHEACHE
SCHEMBL8766323 0.77 GRIN2B (0.71) GRIN2BKDM4EALDH1A1BCHEACHE
SCHEMBL18339371 0.75 HSP90AA1 (0.49) GRIN2BALDH1A1
SCHEMBL6616312 0.75 HSP90AA1 (0.49) GRIN2BALDH1A1

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