SCHEMBL8765757

SCHEMBL8765757

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.63
ACHE P22303 4/20 0.45
BCHE P06276 2/20 0.45
BACE1 P56817 2/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM1A O60341 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CRHBP P24387 1/20 0.42
CYP2C19 P33261 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL8766012 0.80 DRD2 (0.46) GRIN2BACHEBACE1
SCHEMBL8766331 0.80 GRIN2B (0.59) GRIN2BACHEBCHEBACE1
SCHEMBL11523799 0.79 GRIN2B (0.41) GRIN2BALDH1A1MEN1KMT2AMAPT
SCHEMBL8912128 0.76 GRIN2B (0.68) GRIN2BACHEBCHEBACE1POLB
SCHEMBL8185940 0.75 GRIN2B (0.86) GRIN2BACHEBCHEBACE1POLB
Hydrochloric Acid SCHEMBL8176663 0.75 GRIN2B (0.67) GRIN2BACHEBCHEBACE1POLB
Hydrochloric Acid SCHEMBL8187601 0.74 GRIN2B (0.84) GRIN2BACHEBCHEBACE1POLB
SCHEMBL8765980 0.73 GRIN2B (0.41) GRIN2BALDH1A1KDM1AMEN1KMT2A
Oxalic Acid SCHEMBL8766526 0.73 ADRB3 (0.48)
Oxalic Acid SCHEMBL8766533 0.73 ADRB3 (0.48)

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