SCHEMBL8766323

SCHEMBL8766323

O=C1CC(NCc2ccccc2)CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.71
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
POLB P06746 1/20 0.48
KDM1A O60341 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 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
SCHEMBL8185940 0.86 GRIN2B (0.86) GRIN2BBCHEACHEBACE1POLB
Hydrochloric Acid SCHEMBL8187601 0.85 GRIN2B (0.84) GRIN2BBCHEACHEBACE1POLB
SCHEMBL11549987 0.81 GRIN2B (0.56) GRIN2BBCHEACHEBACE1DRD2
SCHEMBL11523246 0.80 GRIN2B (0.45) GRIN2BACHEALDH1A1DRD2
SCHEMBL5145409 0.80 GRIN2B (0.74) GRIN2BBCHEACHEBACE1POLB
SCHEMBL8186614 0.78 GRIN2B (0.73) GRIN2BBCHEACHEBACE1POLB
Hydrochloric Acid SCHEMBL8187663 0.77 GRIN2B (0.71) GRIN2BBCHEACHEBACE1POLB
SCHEMBL8765798 0.77 GRIN2B (0.70) GRIN2BBCHEACHEBACE1POLB
SCHEMBL8912128 0.75 GRIN2B (0.68) GRIN2BBCHEACHEBACE1POLB
SCHEMBL8192687 0.75 GRIN2B (0.67) GRIN2BBCHEACHEBACE1POLB

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