SCHEMBL10530481

SCHEMBL10530481

COc1ccc2c(c1)CC(NCC(O)c1ccccc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.63
ADRB1 P08588 4/20 0.63
DRD2 P14416 2/20 0.60
DRD3 P35462 2/20 0.60

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
SCHEMBL10527952 1.00 ADRB3 (0.63) ADRB3ADRB1DRD2DRD3
SCHEMBL10527975 1.00 ADRB3 (0.63) ADRB3ADRB1DRD2DRD3
Hydrochloric Acid SCHEMBL10799667 0.99 ADRB3 (0.62) ADRB3ADRB1DRD2DRD3
Hydrochloric Acid SCHEMBL10799789 0.99 ADRB3 (0.62) ADRB3ADRB1DRD2DRD3
Hydrochloric Acid SCHEMBL10802620 0.99 ADRB3 (0.62) ADRB3ADRB1DRD2DRD3
SCHEMBL10529361 0.95 ADRB3 (0.58) ADRB3ADRB1DRD2DRD3
Phenyl Ethanol SCHEMBL10800762 0.95 ADRB3 (0.59) ADRB3ADRB1DRD2DRD3
Hydrochloric Acid SCHEMBL10799595 0.94 ADRB3 (0.57) ADRB3ADRB1DRD2DRD3
Phenylethyl Alcohol SCHEMBL10800755 0.91 ADRB3 (0.57) ADRB3ADRB1DRD2DRD3
SCHEMBL10532036 0.88 ADRB3 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211721-B1 PHENYLETHANOL AMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI S.A. (FR) 1989-10-04 EP disclosed
EP-0211721-A1 Phenylethanol aminotetralines, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1987-02-25 EP disclosed