SCHEMBL7410044

SCHEMBL7410044

COc1cccc(OC)c1OCCNCC(O)COc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.67
DRD2 P14416 3/20 0.67
MAPT P10636 2/20 0.67
TLR4 O00206 2/20 0.67
ADRB3 P13945 2/20 0.67
ADRB1 P08588 2/20 0.67
KDM4E B2RXH2 1/20 0.67
SLC22A2 O15244 1/20 0.67
SLC22A1 O15245 1/20 0.67
MLNR O43193 1/20 0.67
NR1I2 O75469 1/20 0.67
KCNK2 O95069 1/20 0.67
ABCB11 O95342 1/20 0.67
APP P05067 1/20 0.67
ABCB1 P08183 1/20 0.67
HTR1A P08908 1/20 0.67
ADRA2A P08913 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
GAA P10253 1/20 0.67
ADRA2B P18089 1/20 0.67

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
SCHEMBL4570569 0.93 ADRB2 (0.78) ADRB2DRD2MAPTTLR4ADRB3
SCHEMBL7403484 0.89 ADRB2 (0.63) ADRB2DRD2MAPTTLR4ADRB3
SCHEMBL7410183 0.87 ADRB2 (0.61) ADRB2DRD2MAPTTLR4ADRB3
SCHEMBL7412337 0.87 ADRB2 (0.66) ADRB2DRD2MAPTTLR4ADRB3
SCHEMBL7410118 0.87 ADRB2 (0.63) ADRB2DRD2MAPTTLR4ADRB3
SCHEMBL7411219 0.87 ADRB2 (0.66) ADRB2DRD2MAPTTLR4ADRB3
SCHEMBL7413326 0.86 ADRB2 (0.59) ADRB2DRD2MAPTTLR4ADRB3
SCHEMBL7413972 0.86 ADRB2 (0.59) ADRB2DRD2MAPTTLR4ADRB3
SCHEMBL7410154 0.85 ADRB2 (0.61) ADRB2DRD2MAPTTLR4ADRB3
SCHEMBL7417184 0.85 ADRB2 (0.61) ADRB2DRD2MAPTTLR4ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503067-A HYPOTENSIVE, ANGINA PECTORIS BOEHRINGER MANNHEIM GMBH (DE) 1985-03-05 US disclosed