SCHEMBL8766779

SCHEMBL8766779

CCCCCOc1ccc2c(c1)CC(NC[C@H](O)c1cccc(Cl)c1)CCC2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.73
ADRB1 P08588 6/20 0.68

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
SCHEMBL8766776 1.00 ADRB3 (0.73) ADRB3ADRB1
SCHEMBL9262817 0.86 ADRB3 (0.79) ADRB3ADRB1
SCHEMBL9262822 0.86 ADRB3 (0.79) ADRB3ADRB1
Hydrochloric Acid SCHEMBL5145535 0.86 ADRB3 (0.71) ADRB3ADRB1
SCHEMBL8766621 0.86 ADRB3 (0.81) ADRB3ADRB1
SCHEMBL8766617 0.86 ADRB3 (0.81) ADRB3ADRB1
Hydrochloric Acid SCHEMBL8765827 0.85 ADRB3 (0.81) ADRB3ADRB1
Hydrochloric Acid SCHEMBL8765834 0.85 ADRB3 (0.81) ADRB3ADRB1
SCHEMBL9361829 0.85 ADRB3 (0.78) ADRB3ADRB1
Hydrochloric Acid SCHEMBL9264085 0.85 ADRB3 (0.80) ADRB3ADRB1

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