SCHEMBL2486358

SCHEMBL2486358

CC[N+](CC)(CC)c1ccccc1[N+](CC)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CHRNA7 P36544 4/20 0.38
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
TP53 P04637 1/20 0.36
CHRM1 P11229 3/20 0.33
CHRM3 P20309 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 1/20 0.33
ACHE P22303 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
KCNH2 Q12809 1/20 0.31
HIF1A Q16665 1/20 0.31
DNM1 Q05193 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9712027 0.84 ACHE (0.43) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Bromide SCHEMBL123536 0.82 ACHE (0.41) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL8724592 0.82 GABRA1 (0.41) TP53CHRM1CHRM3CHRM2CHRM4
SCHEMBL9051146 0.82 TSHR (0.41) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL26110882 0.82 ACHE (0.41) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Water SCHEMBL11596575 0.82 ACHE (0.41) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL2487014 0.80 CHRM2 (0.32) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Water SCHEMBL7199703 0.80 ACHE (0.46) TP53ACHETSHRALDH1A1LMNA
SCHEMBL11765900 0.78 ALDH1A1 (0.43) CHRNB4CHRNA3CHRNA7TP53NPSR1
SCHEMBL13822622 0.77 LMNA (0.48) NPSR1TSHRALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2009724-B1 METHOD FOR PRODUCING POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE AND DIRECT METHANOL FUEL CELL SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
US-20090274944-A1 METHOD FOR PRODUCING POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE AND DIRECT METHANOL FUEL CELL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
EP-2009724-A1 METHOD FOR PRODUCING POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE AND DIRECT METHANOL FUEL CELL Sumitomo Chemical Company, Limited (JP) 2008-12-31 EP disclosed