SCHEMBL8766012

SCHEMBL8766012

Oc1ccc2c(c1)C=CC(NCc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
DRD4 P21917 5/20 0.46
DRD3 P35462 5/20 0.46
DRD1 P21728 2/20 0.46
DRD5 P21918 2/20 0.46
GRIN2B Q13224 7/20 0.45
FYN P06241 1/20 0.42
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
SLC6A5 Q9Y345 2/20 0.38

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
SCHEMBL8766331 0.85 GRIN2B (0.59) DRD2DRD4DRD3DRD1DRD5
SCHEMBL8765757 0.80 GRIN2B (0.63) GRIN2BACHEBACE1
SCHEMBL9306071 0.72 GRIN2B (0.71) DRD2DRD4DRD3GRIN2BFYN
SCHEMBL6133948 0.72 GRIN2B (0.71) DRD2DRD4DRD3GRIN2BFYN
SCHEMBL9304253 0.72 GRIN2B (0.71) DRD2DRD4DRD3GRIN2BFYN
Bromide SCHEMBL9304413 0.71 GRIN2B (0.69) DRD2DRD4DRD3GRIN2BFYN
Bromide SCHEMBL9304418 0.71 GRIN2B (0.69) DRD2DRD4DRD3GRIN2BFYN
Bromide SCHEMBL9303647 0.71 GRIN2B (0.69) DRD2DRD4DRD3GRIN2BFYN
SCHEMBL9315555 0.68 MAOA (0.44) GRIN2B
SCHEMBL5142005 0.68 GRIN2B (0.59) DRD2DRD4DRD3DRD1DRD5

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 3 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
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed