SCHEMBL7274537

SCHEMBL7274537

CC=CC=CC(=O)OC(CNC(C)C)COc1ccc(CCOC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.56
ADRB2 P07550 2/20 0.56
CYP2D6 P10635 2/20 0.56
NR3C1 P04150 1/20 0.56
ADRA1A P35348 1/20 0.56
CYP2J2 P51589 1/20 0.56
PDE4D Q08499 1/20 0.56
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9636570 1.00 ADRB1 (0.56) ADRB1ADRB2CYP2D6NR3C1ADRA1A
SCHEMBL11320142 0.92 ADRB1 (0.63) ADRB1ADRB2CYP2D6NR3C1ADRA1A
SCHEMBL8892157 0.83 ADRB1 (0.66) ADRB1ADRB2CYP2D6NR3C1ADRA1A
Metoprolol SCHEMBL9636584 0.82 TDP1 (0.72) ADRB1ADRB2CYP2D6NR3C1ADRA1A
(S)-Metoprolol SCHEMBL9636561 0.82 TDP1 (0.72) ADRB1ADRB2CYP2D6NR3C1ADRA1A
Metoprolol SCHEMBL7274530 0.82 TDP1 (0.72) ADRB1ADRB2CYP2D6NR3C1ADRA1A
(S)-Metoprolol SCHEMBL7274540 0.82 TDP1 (0.72) ADRB1ADRB2CYP2D6NR3C1ADRA1A
SCHEMBL2473791 0.82 ADRB1 (0.65) ADRB1ADRB2CYP2D6NR3C1ADRA1A
SCHEMBL9636578 0.81 ADRB1 (0.47) ADRB1ADRB2CYP2D6NR3C1ADRA1A
SCHEMBL4456681 0.81 NPY1R (0.67) ADRB1ADRB2CYP2D6NR3C1ADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220143-B1 NEW PHARMACEUTICAL PREPARATION WITH CONTROLLED RELEASE OF METOPROLOL, A METHOD FOR THE MANUFACTURE THEREOF AND THE USE OF THE NEW PREPARATION Aktiebolaget Hässle (SE) 1991-07-24 EP disclosed
US-4957745-A BEADS WITH METOPROLOL SALT, CELLULOSE ETHER MEMBRANE AKTIEBOLAGET HASSLE (SE) 1990-09-18 US disclosed
EP-0339006-A1 Process for preparing S-metoprolol and intermediates therefor Astra Pharmaceutical Production AB (SE) 1989-10-25 EP disclosed
EP-0220143-A1 New pharmaceutical preparation with controlled release of metoprolol, a method for the manufacture thereof and the use of the new preparation Aktiebolaget Hässle (SE) 1987-04-29 EP disclosed