SCHEMBL8765180

SCHEMBL8765180

CCOC(=O)COc1ccc2c(c1)CC(N(Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1)CCC2

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.65
ADRB1 P08588 2/20 0.49
HTT P42858 1/20 0.40

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
SCHEMBL8765174 1.00 ADRB3 (0.65) ADRB3ADRB1HTT
Hydrochloric Acid SCHEMBL8765780 0.99 ADRB3 (0.65) ADRB3ADRB1
Hydrochloric Acid SCHEMBL9258858 0.99 ADRB3 (0.65) ADRB3ADRB1
Hydrochloric Acid SCHEMBL8765771 0.99 ADRB3 (0.65) ADRB3ADRB1
Hydrochloric Acid SCHEMBL8765135 0.90 ADRB3 (0.52) ADRB3ADRB1HTT
Hydrochloric Acid SCHEMBL8765144 0.90 ADRB3 (0.52) ADRB3ADRB1HTT
Hydrochloric Acid SCHEMBL8765093 0.90 ADRB3 (0.52) ADRB3ADRB1HTT
SCHEMBL8765970 0.90 ADRB3 (0.52) ADRB3ADRB1
Hydrochloric Acid SCHEMBL8765098 0.90 ADRB3 (0.52) ADRB3ADRB1HTT
Hydrochloric Acid SCHEMBL8766837 0.89 ADRB3 (0.51) ADRB3ADRB1HTT

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