SCHEMBL11524202

SCHEMBL11524202

C#CCOc1ccccc1OCC(O)CNC(C)Cc1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.63
ADRB3 P13945 9/20 0.63
ADRB1 P08588 8/20 0.63
CYP2D6 P10635 2/20 0.45
HTR2A P28223 2/20 0.45
SLC6A4 P31645 2/20 0.45
ADRA1A P35348 2/20 0.45
SLC22A1 O15245 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTR1A P08908 1/20 0.45
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
MC4R P32245 1/20 0.44

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
SCHEMBL11522642 0.86 ADRB3 (0.70) ADRB2ADRB3ADRB1CYP2D6HTR2A
SCHEMBL11522665 0.84 ADRB3 (0.69) ADRB2ADRB3ADRB1CYP2D6CYP1A2
SCHEMBL10434592 0.82 ADRB2 (0.67) ADRB2ADRB3ADRB1CYP2D6HTR2A
SCHEMBL11520092 0.82 ADRB2 (0.66) ADRB2ADRB3ADRB1SLC6A4ADRA1A
SCHEMBL11522659 0.80 ADRB2 (0.63) ADRB2ADRB3ADRB1
SCHEMBL9684040 0.80 ADRB3 (0.87) ADRB2ADRB3ADRB1CYP2D6SLC6A4
SCHEMBL9684048 0.80 ADRB3 (0.87) ADRB2ADRB3ADRB1CYP2D6SLC6A4
SCHEMBL9685312 0.80 ADRB3 (0.87) ADRB2ADRB3ADRB1CYP2D6SLC6A4
SCHEMBL11521385 0.80 ADRB2 (0.66) ADRB2ADRB3ADRB1CYP2D6HTR2A
SCHEMBL11522246 0.79 CASR (0.63) ADRB2ADRB3ADRB1CYP2D6SLC6A4

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