SCHEMBL6562854

SCHEMBL6562854

NC(O)CCOc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 6/20 0.58
ADRB2 P07550 11/20 0.54
DNM1 Q05193 2/20 0.54
ADRB1 P08588 4/20 0.53
ADRB3 P13945 4/20 0.53
DRD2 P14416 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SLC22A2 O15244 1/20 0.53
SLC22A1 O15245 1/20 0.53
MLNR O43193 1/20 0.53
NR1I2 O75469 1/20 0.53
KCNK2 O95069 1/20 0.53
ABCB11 O95342 1/20 0.53
APP P05067 1/20 0.53
ABCB1 P08183 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL30493558 0.81 ADRB2 (0.58) TLR4ADRB2DNM1ADRB1ADRB3
SCHEMBL6925186 0.81 ADRB2 (0.58) TLR4ADRB2DNM1ADRB1ADRB3
SCHEMBL6112126 0.80 ADRB2 (0.64) TLR4ADRB2DNM1ADRB1ADRB3
SCHEMBL4627007 0.80 ADRB2 (0.60) TLR4ADRB2DNM1ADRB1ADRB3
SCHEMBL1732912 0.79 TLR4 (0.54) TLR4ADRB2DNM1ADRB1ADRB3
SCHEMBL30692087 0.78 ADRB2 (0.59) TLR4ADRB2DNM1ADRB1ADRB3
SCHEMBL14046114 0.78 ADRB2 (0.61) TLR4ADRB2DNM1ADRB1ADRB3
SCHEMBL6472027 0.78 ADRB2 (0.58) TLR4ADRB2DNM1ADRB1ADRB3
SCHEMBL6074582 0.78 ADRB2 (0.67) TLR4ADRB2DNM1ADRB1ADRB3
SCHEMBL5694608 0.78 ADRB2 (0.67) TLR4ADRB2DNM1ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098646-B1 STABILIZED CARVEDILOL INJECTION SOLUTION ROCHE DIAGNOSTICS GMBH (DE) 2004-09-22 EP disclosed
US-6664284-B2 Ready-to-inject; buffer with pH of 7.2 to 4.0, a water-soluble organic solvent, an antioxidant and an agent which binds heavy metal ions ROCHE DIAGNOSTICS GMBH (DE) 2003-12-16 US disclosed
US-20020169199-A1 Stabilized carvedilol injection solution GRUBER WERNER (DE) 2002-11-14 US disclosed
EP-1098646-A1 STABILIZED CARVEDILOL INJECTION SOLUTION Roche Diagnostics GmbH (DE) 2001-05-16 EP disclosed
WO-2000004902-A1 STABILIZED CARVEDILOL INJECTION SOLUTION ROCHE DIAGNOSTICS GMBH (DE) 2000-02-03 WO disclosed