SCHEMBL5058596

SCHEMBL5058596

CC(=O)CC1CCCCN1.CC(=O)CC1CCCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.50
KMT2A Q03164 3/20 0.46
CYP2D6 P10635 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
MLNR O43193 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
FYN P06241 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM5 P08912 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
SCHEMBL156790 1.00 FDPS (0.50) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL31318443 1.00 FDPS (0.50) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL8116639 1.00 FDPS (0.50) FDPSKMT2ACYP2D6MEN1LMNA
Hydrochloric Acid SCHEMBL4270933 0.98 FDPS (0.49) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL23182244 0.94
SCHEMBL10963632 0.94
SCHEMBL10181148 0.94
Sulfuric Acid SCHEMBL19259378 0.93 FDPS (0.45) FDPSKMT2ACYP2D6MEN1LMNA
Pyridine SCHEMBL27567337 0.85 POLB (0.41) FDPSKMT2ACYP2D6MEN1LMNA
Tert-Butyl Formate SCHEMBL28011979 0.84 FDPS (0.41) FDPSKMT2ACYP2D6MEN1LMNA

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
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 EP disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 WO disclosed