SCHEMBL11316604

SCHEMBL11316604

CCCCCCCCCCCCCCCCCN1CC[N+](CC)=C1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.47
GNAI3 P08754 3/20 0.33
GNAO1 P09471 3/20 0.33
GNAI1 P63096 3/20 0.33
GBA1 P04062 1/20 0.33
ALOX5 P09917 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 3/20 0.31
FAAH O00519 2/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7591943 0.84 EEF2K (0.43) EEF2KGNAI3GNAO1GNAI1GBA1
SCHEMBL16887393 0.80 EEF2K (0.39) EEF2KMEN1KMT2AALDH1A1GAA
SCHEMBL16887396 0.80 EEF2K (0.39) EEF2KMEN1KMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL11784924 0.78 EEF2K (0.40) EEF2KMEN1KMT2A
Hydrochloric Acid SCHEMBL11779798 0.77 EEF2K (0.45) EEF2KGNAI3GNAO1GNAI1GBA1
SCHEMBL16887394 0.76 MGLL (0.38) EEF2KMGLLFAAH
SCHEMBL16887389 0.73 MGLL (0.35) EEF2KMGLLFAAH
SCHEMBL7776941 0.72 EEF2K (0.61) EEF2KGNAI3GNAO1GNAI1GBA1
SCHEMBL16887395 0.72 MGLL (0.35) EEF2KMEN1KMT2ACYP1A2CYP2C19
SCHEMBL24052262 0.71 EEF2K (0.46) EEF2KGNAI3GNAO1GNAI1GBA1

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
US-4275042-A CATIONIC SEQUESTRANT ALCAN RESEARCH AND DEVELOPMENT LIMITED (CA) 1981-06-23 US disclosed