SCHEMBL11136281

SCHEMBL11136281

CC(C)(CCc1ccc(O)cc1)NC[C@H](O)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.53
ADRB1 P08588 15/20 0.53
CASR P41180 1/20 0.44
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL11136288 1.00 ADRB2 (0.53) ADRB2ADRB1CASRADRA2AADRA2B
Hydrochloric Acid SCHEMBL11134351 0.99 ADRB2 (0.54) ADRB2ADRB1CASR
SCHEMBL11129792 0.85 ADRB2 (0.45) ADRB2ADRB1CASR
SCHEMBL11122771 0.85 ADRB2 (0.45) ADRB2ADRB1CASR
Hydrochloric Acid SCHEMBL8855378 0.84 ADRB2 (0.44) ADRB2ADRB1CASR
SCHEMBL11132431 0.82 ADRB2 (0.51) ADRB2ADRB1CASR
SCHEMBL11137221 0.82 ADRB2 (0.51) ADRB2ADRB1CASR
SCHEMBL4626574 0.81 ADRB1 (0.49) ADRB2ADRB1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL11134717 0.81 ADRB2 (0.53) ADRB2ADRB1CASR
Bromide SCHEMBL11135620 0.81 ADRB2 (0.50) ADRB2ADRB1CASR

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-0007206-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, PREPARATION AND USE ELI LILLY AND COMPANY (US) 1983-02-23 EP disclosed
EP-0007206-A1 Phenethanolamines, their formulations, preparation and use ELI LILLY AND COMPANY (US) 1980-01-23 EP disclosed