SCHEMBL2487014

SCHEMBL2487014

CC[N+](CC)(CC)c1cccc([N+](CC)(CC)CC)c1[N+](CC)(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.32
TSHR P16473 2/20 0.32
ACHE P22303 2/20 0.32
LMNA P02545 1/20 0.32
CHRM1 P11229 1/20 0.32
ALOX15 P16050 1/20 0.32
KCNH2 Q12809 1/20 0.32
HIF1A Q16665 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
OPRM1 P35372 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
SCHEMBL2486358 0.80 CHRNB4 (0.38) CHRM2TSHRACHELMNACHRM1
SCHEMBL9712027 0.72 ACHE (0.43) TSHRACHELMNAALOX15CHRNB2
SCHEMBL11765900 0.72 ALDH1A1 (0.43) TSHRLMNAALOX15HIF1ACHRNB4
SCHEMBL8724592 0.70 GABRA1 (0.41) CHRM2ACHECHRM1KCNH2OPRM1
Bromide SCHEMBL123536 0.70 ACHE (0.41) TSHRACHELMNACHRM1ALOX15
SCHEMBL9051146 0.70 TSHR (0.41) CHRM2TSHRLMNACHRM1KCNH2
Hydrochloric Acid SCHEMBL26110882 0.70 ACHE (0.41) TSHRACHELMNAALOX15CHRNB2
Water SCHEMBL11596575 0.70 ACHE (0.41) TSHRACHELMNAALOX15CHRNB2
Water SCHEMBL7199703 0.69 ACHE (0.46) TSHRACHELMNAALOX15HIF1A
SCHEMBL13822622 0.66 LMNA (0.48) TSHRLMNA

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