SCHEMBL7112436

SCHEMBL7112436

CCC[N+](CCC)(CCC)CCOCC[N+](CCC)(CCC)CCC.CC[N+](CC)(CC)CCOCC[N+](CC)(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 4/20 0.53
DNM1 Q05193 4/20 0.46
CHRNB2 P17787 4/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
CHRNA7 P36544 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRM2 P08172 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
CHRM1 P11229 1/20 0.36
ALOX15 P16050 1/20 0.36
ACHE P22303 1/20 0.36
KCNH2 Q12809 1/20 0.36
HIF1A Q16665 1/20 0.36
NFKB1 P19838 1/20 0.35
KCNA1 Q09470 1/20 0.35
SLC22A2 O15244 1/20 0.35
KDM4E B2RXH2 1/20 0.33
PMP22 Q01453 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
SCHEMBL8045306 0.92 SLC22A1 (0.62) SLC22A1DNM1TSHRALOX15HIF1A
SCHEMBL7112431 0.89 SLC22A1 (0.42) SLC22A1DNM1CHRNB2CHRNB4CHRNA3
SCHEMBL8057202 0.89 CHRNA7 (0.44) DNM1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16352859 0.87 SLC22A1 (0.43) SLC22A1DNM1CHRNB2CHRNB4CHRNA3
SCHEMBL12937456 0.86 HSD17B10 (0.44) SLC22A1DNM1CHRNB2CHRNB4CHRNA3
SCHEMBL12560598 0.86 CHRNA7 (0.43) DNM1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12937457 0.84 HSD17B10 (0.42) SLC22A1DNM1CHRNB2CHRNB4CHRNA3
SCHEMBL12936198 0.84 HSD17B10 (0.42) SLC22A1DNM1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL30527255 0.83 KDM4E (0.44) DNM1CHRNB2CHRNB4CHRNA3CHRNA7
Bromide SCHEMBL30527259 0.83 DNM1 (0.42) DNM1CHRNB2CHRNB4CHRNA3CHRNA7

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-0928809-B1 POLYSACCHARIDE DERIVATIVE/MAGNETIC METAL OXIDE COMPOSITE MEITO SANGYO KK (JP) 2003-10-22 EP disclosed