SCHEMBL9548053

SCHEMBL9548053

COc1ccc(CCC(C)NCC(O)c2ccc(C)c(SC)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.60
ADRA1A P35348 2/20 0.60
HTR1A P08908 1/20 0.60
SLC6A2 P23975 1/20 0.60
ADRB2 P07550 11/20 0.52
ADRB3 P13945 5/20 0.49
ADRB1 P08588 4/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD2 P14416 2/20 0.48
PGR P06401 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL9548079 0.87 ADRB2 (0.57) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
SCHEMBL9548061 0.81 SLC6A4 (0.58) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
SCHEMBL4684534 0.81 ADRA1A (0.71) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
SCHEMBL8855337 0.79 ADRB2 (0.82) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
SCHEMBL10648836 0.76 ADRB2 (0.66) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
SCHEMBL3723459 0.75 ADRB1 (0.77) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
SCHEMBL11817096 0.75 ADRB2 (0.83) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
Sulfinalol SCHEMBL29387627 0.75 SLC6A4 (0.66) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
Sulfinalol SCHEMBL78008 0.75 SLC6A4 (0.66) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
Sulfinalol SCHEMBL6510272 0.75 SLC6A4 (0.66) SLC6A4ADRA1AHTR1ASLC6A2ADRB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57028040-A None JP disclosed
US-5198587-A Adrenergic Blocking Agents, Hypotensive Agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 US disclosed
US-5063246-A Hypotensive YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-11-05 US disclosed
US-4880841-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed
JP-S5728040-A PHENYLETHANOLAMINE DERIVATIVE YAMANOUCHI PHARMACEUT CO LTD 1982-02-15 JP disclosed