SCHEMBL9548061

SCHEMBL9548061

COc1ccc(CCC(C)NCC(O)c2ccc(C)c([S+](C)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.58
ADRA1A P35348 2/20 0.58
HTR1A P08908 1/20 0.58
SLC6A2 P23975 1/20 0.58
ADRB2 P07550 15/20 0.50
ADRB1 P08588 8/20 0.49
ADRB3 P13945 7/20 0.49
DRD2 P14416 2/20 0.49
PGR P06401 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD3 P35462 1/20 0.49
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
Sulfinalol SCHEMBL78008 0.90 SLC6A4 (0.66) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
Sulfinalol SCHEMBL6510272 0.90 SLC6A4 (0.66) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
Sulfinalol SCHEMBL29387627 0.90 SLC6A4 (0.66) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
Sulfinalol SCHEMBL29918144 0.89 ADRA1A (0.65) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
Sulfinalol SCHEMBL121669 0.89 ADRA1A (0.65) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
Sulfinalol SCHEMBL1650838 0.88 SLC6A4 (0.64) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
SCHEMBL9548053 0.81 SLC6A4 (0.60) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
SCHEMBL11193698 0.79 SLC6A4 (0.53) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
SCHEMBL8855337 0.78 ADRB2 (0.82) SLC6A4ADRA1AHTR1ASLC6A2ADRB2
SCHEMBL11153294 0.77 ADRB2 (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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