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Metoprolol

Metoprolol

SCHEMBL14744146

COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1

The experimentally established mechanism targets of Metoprolol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 known ✓ P08588 4/20 0.84
▸ ADRB2 P07550 3/20 0.84
▸ ADRA1A P35348 2/20 0.84
▸ CYP2D6 P10635 2/20 0.84
▸ NR3C1 P04150 1/20 0.84
▸ CYP2J2 P51589 1/20 0.84
▸ PDE4D Q08499 1/20 0.84
▸ TDP1 Q9NUW8 3/20 0.83
▸ PMP22 Q01453 2/20 0.83
▸ NPY1R P25929 1/20 0.83
▸ NPY2R P49146 1/20 0.83
▸ NPSR1 Q6W5P4 1/20 0.83
▸ ABCB1 P08183 1/20 0.60
▸ LMNA P02545 2/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ ADRA1D P25100 1/20 0.60
▸ ADRA1B P35368 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ GLA P06280 1/20 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
Metoprolol SCHEMBL23668766 1.00 ADRB1 (0.84) ADRB1ADRB2ADRA1ACYP2D6NR3C1
Metoprolol SCHEMBL2406939 1.00 ADRB1 (0.84) ADRB1ADRB2ADRA1ACYP2D6NR3C1
(S)-Metoprolol SCHEMBL379724 1.00 ADRB1 (0.84) ADRB1ADRB2ADRA1ACYP2D6NR3C1
Metoprolol SCHEMBL40916 1.00 ADRB1 (0.84) ADRB1ADRB2ADRA1ACYP2D6NR3C1
Metoprolol SCHEMBL40917 1.00 ADRB1 (0.84) ADRB1ADRB2ADRA1ACYP2D6NR3C1
(S)-Metoprolol SCHEMBL3123844 0.93 ADRB2 (0.88) ADRB1ADRB2ADRA1ACYP2D6NR3C1
Metoprolol SCHEMBL3123840 0.93 ADRB2 (0.88) ADRB1ADRB2ADRA1ACYP2D6NR3C1
Metoprolol SCHEMBL1561123 0.92 ADRB1 (1.00) ADRB1ADRB2ADRA1ACYP2D6NR3C1
(R)-Metoprolol SCHEMBL40918 0.92 ADRB1 (1.00) ADRB1ADRB2ADRA1ACYP2D6NR3C1
Metoprolol SCHEMBL4093 0.92 ADRB1 (1.00) ADRB1ADRB2ADRA1ACYP2D6NR3C1

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-2747757-A1 METHODS FOR TREATING CARDIOVASCULAR DISORDERS Wockhardt Limited (IN) 2014-07-02 — — EP disclosed
WO-2013030725-A1 METHODS FOR TREATING CARDIOVASCULAR DISORDERS WOCKHARDT LIMITED (IN) 2013-03-07 — — WO disclosed