SCHEMBL8316137

SCHEMBL8316137

N#CC(CC(=O)OCCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4C Q9H3R0 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KCNA5 P22460 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL4630703 0.84 SLC6A3 (0.45) SLC6A3MEN1KMT2AKDM4CSLC6A2
SCHEMBL4631262 0.82 SLC6A3 (0.43) SLC6A3MEN1KMT2AKDM4CSLC6A2
SCHEMBL8352398 0.76 SLC6A3 (0.45) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL8592687 0.76 SLC6A3 (0.45) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL3466586 0.75 L3MBTL1 (0.38) SLC6A3MEN1KMT2AKDM4CSLC6A2
SCHEMBL8556420 0.75 MEN1 (0.41) SLC6A3MEN1KMT2AKDM4CKCNA5
SCHEMBL8706751 0.74 SLC6A3 (0.48) SLC6A3MEN1KMT2AKDM4CSLC6A2
SCHEMBL8352404 0.73 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL7496624 0.73 SLC6A3 (0.50) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL8558548 0.73 SLC6A3 (0.41) SLC6A3MEN1KMT2AKDM4CSLC6A2

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-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed