SCHEMBL11277643

SCHEMBL11277643

CC(N)COc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.54
PTGS1 P23219 1/20 0.54
TAAR1 Q96RJ0 3/20 0.50
LTA4H P09960 3/20 0.48
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN4A P35499 3/20 0.46
NR5A1 Q13285 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
KCNK3 O14649 1/20 0.46
CACNA1F O60840 1/20 0.46
KCNK2 O95069 1/20 0.46

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
SCHEMBL17947765 0.94 SLC6A2 (0.50) SLC6A2PTGS1TAAR1LTA4HADRB2
SCHEMBL23465595 0.94 LTA4H (0.58) SLC6A2PTGS1TAAR1LTA4HADRB2
SCHEMBL3173896 0.83 SLC6A2 (0.58) SLC6A2PTGS1LTA4HADRB2ADRB1
SCHEMBL10922516 0.81 LMNA (0.67) SLC6A2PTGS1LTA4HADRB2ADRB1
SCHEMBL19618912 0.81 SCN4A (0.52) SCN5ASCN4ALMNACYP1A2CYP3A4
SCHEMBL27038352 0.81 LMNA (0.67) SLC6A2PTGS1LTA4HADRB2ADRB1
SCHEMBL9479823 0.81 SCN4A (0.52) SCN5ASCN4ALMNACYP1A2CYP3A4
SCHEMBL8682212 0.81 SLC6A4 (0.59) SCN5ASCN4ALMNACYP1A2CYP3A4
SCHEMBL18295367 0.81 SCN4A (0.52) SCN5ASCN4ALMNACYP1A2CYP3A4
SCHEMBL27038560 0.81 LMNA (0.67) SLC6A2PTGS1LTA4HADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064487-A1 New substituted 3-(parasubstituted)phenoxy-1-alkylamino-propanol-2-s, as well as process for their preparation, pharmaceutical preparations containing same, and method for treating cardiac failure Aktiebolaget Hässle (SE) 1982-11-10 EP disclosed