SCHEMBL10737751

SCHEMBL10737751

CC(C)NCC(O)COc1ccc(CC(=O)NC(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.76
ADRB1 P08588 4/20 0.76
LMNA P02545 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
ADRA1A P35348 2/20 0.76
CYP1A2 P05177 2/20 0.76
TSHR P16473 2/20 0.76
CNR1 P21554 1/20 0.76
ADRA1D P25100 1/20 0.76
ADRA1B P35368 1/20 0.76
KDM4E B2RXH2 1/20 0.76
GLA P06280 1/20 0.76
CYP3A4 P08684 1/20 0.76
NFKB1 P19838 1/20 0.76
THPO P40225 1/20 0.76
BLM P54132 1/20 0.76
PMP22 Q01453 1/20 0.76
ABCB1 P08183 1/20 0.68
PTGS1 P23219 1/20 0.63
SLC6A2 P23975 1/20 0.63

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
SCHEMBL10921251 0.90 ADRB2 (0.73) ADRB2ADRB1LMNATDP1ADRA1A
SCHEMBL120842 0.88 ADRB2 (0.71) ADRB2ADRB1LMNATDP1ADRA1A
SCHEMBL10961494 0.88 ADRB2 (0.78) ADRB2ADRB1LMNATDP1ADRA1A
SCHEMBL6674480 0.88 ADRB2 (0.78) ADRB2ADRB1LMNATDP1ADRA1A
SCHEMBL10072155 0.88 ADRB2 (0.78) ADRB2ADRB1LMNATDP1ADRA1A
SCHEMBL9628892 0.88 ADRB2 (0.78) ADRB2ADRB1LMNATDP1ADRA1A
Atenolol SCHEMBL4362 0.86 ADRB2 (1.00) ADRB2ADRB1LMNATDP1ADRA1A
SCHEMBL6016784 0.86 ADRB2 (0.77) ADRB2ADRB1LMNATDP1ADRA1A
Atenolol SCHEMBL18120 0.86 ADRB2 (1.00) ADRB2ADRB1LMNATDP1ADRA1A
Hydrochloric Acid SCHEMBL6016823 0.86 ADRB2 (0.76) ADRB2ADRB1LMNATDP1ADRA1A

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-4652672-A BETA BLOCKERS LINDNER WOLFGANG F (AT) 1987-03-24 US disclosed