SCHEMBL11522955

SCHEMBL11522955

C=CCc1ccccc1OCC(O)CNC(C)(C)Cc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.62
ADRB3 P13945 5/20 0.62
ADRB1 P08588 4/20 0.62
HTR1A P08908 3/20 0.62
LMNA P02545 2/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A4 P31645 2/20 0.62
KCNH2 Q12809 2/20 0.62
CYP2D6 P10635 2/20 0.62
ADRA2C P18825 1/20 0.62
BDKRB2 P30411 1/20 0.62
ADRA1A P35348 1/20 0.62
HTR2B P41595 1/20 0.62
CYP1A2 P05177 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
ALDH1A1 P00352 1/20 0.61
KDM4E B2RXH2 1/20 0.61
PMP22 Q01453 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL11525714 0.87 CASR (0.62) ADRB2ADRB3ADRB1SLC6A2SLC6A4
SCHEMBL11522766 0.85 CASR (0.60) ADRB2ADRB3ADRB1SLC6A2SLC6A4
SCHEMBL11521898 0.83 ADRB2 (0.51) ADRB2ADRB3ADRB1HTR1ALMNA
SCHEMBL11845793 0.83 ALDH1A1 (0.74) ADRB2ADRB3ADRB1HTR1ALMNA
SCHEMBL7317233 0.82 CASR (0.59) ADRB2ADRB3ADRB1HTR1ALMNA
SCHEMBL11521645 0.82 CASR (0.65) ADRB2ADRB3ADRB1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11226416 0.82 ALDH1A1 (0.73) ADRB2ADRB3ADRB1HTR1ALMNA
SCHEMBL7318229 0.80 CASR (0.56) ADRB2ADRB3ADRB1HTR1ALMNA
SCHEMBL11524998 0.80 ADRB2 (0.70) ADRB2ADRB3ADRB1HTR1ALMNA
SCHEMBL11143271 0.80 CYP2D6 (0.65) ADRB2ADRB3ADRB1HTR1ALMNA

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-4161542-A 3-(2-/P-HYDROXYPHENYL/-1-METHYLETHYLAMINO)-1-PHENOXY-2-PROPANOL/; AKTIEBOLAGET HASSLE (SE) 1979-07-17 US claimed
US-4161542-A 3-(2-/P-HYDROXYPHENYL/-1-METHYLETHYLAMINO)-1-PHENOXY-2-PROPANOL/; AKTIEBOLAGET HASSLE (SE) 1979-07-17 US disclosed