SCHEMBL8765804

SCHEMBL8765804

Oc1ccc2c(c1)CC(NCc1ccccc1)CCCC2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.58
FYN P06241 1/20 0.58
DRD3 P35462 3/20 0.52
DRD2 P14416 2/20 0.52
DRD4 P21917 1/20 0.52
SLC6A5 Q9Y345 3/20 0.52
ACHE P22303 2/20 0.48
BACE1 P56817 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
BCHE P06276 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL5142005 0.96 GRIN2B (0.59) GRIN2BFYNDRD3DRD2DRD4
SCHEMBL8765625 0.96 GRIN2B (0.59) GRIN2BFYNDRD3DRD2DRD4
Hydrochloric Acid SCHEMBL8765161 0.95 GRIN2B (0.58) GRIN2BFYNDRD3DRD2DRD4
Hydrochloric Acid SCHEMBL5144064 0.95 GRIN2B (0.58) GRIN2BFYNDRD3DRD2DRD4
SCHEMBL5146440 0.91 GRIN2B (0.59) GRIN2BFYNDRD3DRD2DRD4
SCHEMBL9306071 0.91 GRIN2B (0.71) GRIN2BFYNDRD3DRD2DRD4
SCHEMBL9304253 0.91 GRIN2B (0.71) GRIN2BFYNDRD3DRD2DRD4
SCHEMBL6133948 0.91 GRIN2B (0.71) GRIN2BFYNDRD3DRD2DRD4
Bromide SCHEMBL9304413 0.90 GRIN2B (0.69) GRIN2BFYNDRD3DRD2DRD4
Bromide SCHEMBL9303647 0.90 GRIN2B (0.69) GRIN2BFYNDRD3DRD2DRD4

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 5 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
EP-0787754-A2 Blocked aliphatic diisocyanates or diisocyanate-adducts HÜLS AKTIENGESELLSCHAFT (DE) 1997-08-06 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