SCHEMBL8766331

SCHEMBL8766331

Nc1ccc2c(c1)C=CC(NCc1ccccc1)CC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.59
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
BACE1 P56817 2/20 0.36
FYN P06241 1/20 0.36
DRD2 P14416 4/20 0.34
DRD3 P35462 3/20 0.34
DRD4 P21917 2/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34

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 0.85 DRD2 (0.46) GRIN2BACHEBACE1FYNDRD2
SCHEMBL8765757 0.80 GRIN2B (0.63) GRIN2BBCHEACHEBACE1
SCHEMBL8188704 0.73 GRIN2B (0.64) GRIN2BBCHEACHE
SCHEMBL9315555 0.73 MAOA (0.44) GRIN2B
Hydrochloric Acid SCHEMBL8178175 0.72 GRIN2B (0.63) GRIN2BBCHEACHE
Hydrochloric Acid SCHEMBL8188653 0.72 GRIN2B (0.63) GRIN2BBCHEACHE
SCHEMBL9776887 0.72 GRIN2B (0.84) GRIN2BBCHEACHEBACE1FYN
Hydrochloric Acid SCHEMBL8186083 0.71 GRIN2B (0.82) GRIN2BBCHEACHEBACE1FYN
SCHEMBL8309955 0.70 GRIN2B (0.64) GRIN2BBCHEACHEBACE1FYN
Hydrochloric Acid SCHEMBL8310357 0.69 GRIN2B (0.63) GRIN2BBCHEACHEBACE1FYN

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 1 patent. 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