SCHEMBL7306755

SCHEMBL7306755

CC(CO)NCC(O)COc1ccc(COCCOC(C)C)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.80
ADRB2 P07550 8/20 0.80
ADRB1 P08588 5/20 0.80
MEN1 O00255 1/20 0.69
LMNA P02545 1/20 0.69
THRB P10828 1/20 0.69
ALOX12 P18054 1/20 0.69
NFKB1 P19838 1/20 0.69
APEX1 P27695 1/20 0.69
MAPK1 P28482 1/20 0.69
KMT2A Q03164 1/20 0.69
POLB P06746 1/20 0.51
NR3C1 P04150 1/20 0.49
CYP2D6 P10635 1/20 0.49
ADRA1A P35348 1/20 0.49
CYP2J2 P51589 1/20 0.49
PDE4D Q08499 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
Bisoprolol SCHEMBL20961 0.89 ADRB1 (1.00) ADRB3ADRB2ADRB1MEN1LMNA
Bisoprolol SCHEMBL233810 0.89 ADRB1 (1.00) ADRB3ADRB2ADRB1MEN1LMNA
Bisoprolol SCHEMBL20960 0.89 ADRB1 (1.00) ADRB3ADRB2ADRB1MEN1LMNA
Bisoprolol SCHEMBL6510329 0.89 ADRB1 (1.00) ADRB3ADRB2ADRB1MEN1LMNA
Bisoprolol SCHEMBL16821829 0.88 ADRB1 (0.98) ADRB3ADRB2ADRB1MEN1LMNA
Bisoprolol SCHEMBL16821831 0.88 ADRB1 (0.98) ADRB3ADRB2ADRB1MEN1LMNA
Bisoprolol SCHEMBL3137123 0.88 ADRB2 (0.98) ADRB3ADRB2ADRB1MEN1LMNA
Bisoprolol SCHEMBL4269272 0.88 ADRB1 (0.98) ADRB3ADRB2ADRB1MEN1LMNA
Bisoprolol SCHEMBL3137111 0.88 ADRB2 (0.98) ADRB3ADRB2ADRB1MEN1LMNA
Bisoprolol SCHEMBL14343722 0.84 ADRB2 (0.89) ADRB3ADRB2ADRB1MEN1LMNA

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
US-4258062-A ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-03-24 US disclosed
US-4171370-A Phenoxy-amino-propanols MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-10-16 US disclosed