SCHEMBL11520092

SCHEMBL11520092

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

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.66
ADRB1 P08588 11/20 0.66
ADRB3 P13945 9/20 0.66
LMNA P02545 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A2 P23975 1/20 0.50
BDKRB2 P30411 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL11522659 0.91 ADRB2 (0.63) ADRB2ADRB1ADRB3
SCHEMBL11524998 0.87 ADRB2 (0.70) ADRB2ADRB1ADRB3LMNAHTR1A
SCHEMBL11522642 0.86 ADRB3 (0.70) ADRB2ADRB1ADRB3LMNAHTR1A
SCHEMBL11522665 0.86 ADRB3 (0.69) ADRB2ADRB1ADRB3
SCHEMBL11526078 0.84 ADRB2 (0.44) ADRB2ADRB1ADRB3LMNAHTR1A
SCHEMBL11524202 0.82 ADRB2 (0.63) ADRB2ADRB1ADRB3LMNAHTR1A
SCHEMBL9684040 0.82 ADRB3 (0.87) ADRB2ADRB1ADRB3HTR1ASLC6A2
SCHEMBL9685312 0.82 ADRB3 (0.87) ADRB2ADRB1ADRB3HTR1ASLC6A2
SCHEMBL9684048 0.82 ADRB3 (0.87) ADRB2ADRB1ADRB3HTR1ASLC6A2
SCHEMBL11521385 0.81 ADRB2 (0.66) ADRB2ADRB1ADRB3SLC6A2SLC6A4

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