SCHEMBL8765246

SCHEMBL8765246

CCOC(=O)COc1ccc2c(c1)CCC[C@H](NC[C@H](O)c1cccc(Cl)c1)C2

nearest known ligand 0.94

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.94
ADRB1 P08588 2/20 0.67

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
SCHEMBL8765248 1.00 ADRB3 (0.94) ADRB3ADRB1
Hydrochloric Acid SCHEMBL9261785 0.99 ADRB3 (0.92) ADRB3ADRB1
Hydrochloric Acid SCHEMBL9261789 0.99 ADRB3 (0.92) ADRB3ADRB1
Oxalic Acid SCHEMBL8765390 0.98 ADRB3 (0.89) ADRB3ADRB1
Oxalic Acid SCHEMBL8765397 0.98 ADRB3 (0.89) ADRB3ADRB1
SCHEMBL8766572 0.97 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL8765155 0.97 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL29388546 0.97 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL8765154 0.97 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL8765919 0.96 ADRB3 (0.98) 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