Carvedilol

Carvedilol

SCHEMBL4655898

CC(C)OP(=O)(O)O.COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3

The experimentally established mechanism targets of Carvedilol. 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
ADRB2 known ✓ P07550 8/20 0.81
ADRB3 known ✓ P13945 2/20 0.81
ADRB1 known ✓ P08588 1/20 0.81
ADRA1D known ✓ P25100 1/20 0.81
ADRA1A known ✓ P35348 1/20 0.81
DRD2 P14416 3/20 0.81
MAPT P10636 2/20 0.81
TLR4 O00206 2/20 0.81
DNM1 Q05193 2/20 0.81
KDM4E B2RXH2 1/20 0.81
SLC22A2 O15244 1/20 0.81
SLC22A1 O15245 1/20 0.81
MLNR O43193 1/20 0.81
NR1I2 O75469 1/20 0.81
KCNK2 O95069 1/20 0.81
ABCB11 O95342 1/20 0.81
APP P05067 1/20 0.81
ABCB1 P08183 1/20 0.81
HTR1A P08908 1/20 0.81
ADRA2A P08913 1/20 0.81

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
Carvedilol SCHEMBL1206988 0.93 ADRB2 (0.87) ADRB2DRD2MAPTTLR4DNM1
Carvedilol SCHEMBL29811211 0.93 ADRB2 (0.91) ADRB2DRD2MAPTTLR4DNM1
Carvedilol SCHEMBL194220 0.93 ADRB2 (0.91) ADRB2DRD2MAPTTLR4DNM1
Carvedilol SCHEMBL15512534 0.92 ADRB2 (0.89) ADRB2DRD2MAPTTLR4DNM1
Carvedilol SCHEMBL599530 0.92 ADRB2 (0.89) ADRB2DRD2MAPTTLR4DNM1
Carvedilol SCHEMBL600699 0.92 ADRB2 (0.89) ADRB2DRD2MAPTTLR4DNM1
Carvedilol SCHEMBL4311447 0.91 ADRB2 (0.87) ADRB2DRD2MAPTTLR4DNM1
(R)-Carvedilol SCHEMBL232110 0.90 ADRB2 (1.00) ADRB2DRD2MAPTTLR4DNM1
Carvedilol SCHEMBL1172788 0.90 ADRB2 (1.00) ADRB2DRD2MAPTTLR4DNM1
Carvedilol SCHEMBL1560204 0.90 ADRB2 (1.00) ADRB2DRD2MAPTTLR4DNM1

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-1991527-A2 POLYMORPHOUS FORMS OF CARVEDILOL PHOSPHATE Teva Pharmaceutical Industries Ltd (IL) 2008-11-19 EP claimed
WO-2008002683-A2 POLYMORPHOUS FORMS OF CARVEDILOL PHOSPHATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-03 WO claimed