SCHEMBL5332813

SCHEMBL5332813

CC(C)c1ccc[n+](CCCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 6/20 0.47
▸ CHRNA10 Q9GZZ6 6/20 0.47
▸ CHRNA9 Q9UGM1 6/20 0.47
▸ BCHE P06276 5/20 0.41
▸ ACHE P22303 5/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL5287876 0.84 SIGMAR1 (0.41) CHRNA7CHRNA10CHRNA9
SCHEMBL5328940 0.83 RAB9A (0.47) CHRNA7CHRNA10CHRNA9ACHE
SCHEMBL5304636 0.80 HTT (0.47) ACHE
SCHEMBL5331885 0.80 LMNA (0.56) BCHEACHECYP2D6
SCHEMBL5295991 0.79 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9HDAC1
SCHEMBL5328409 0.79 HTT (0.54) ACHE
SCHEMBL5293858 0.79 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9HDAC1
SCHEMBL5284579 0.78 CHRNA7 (0.46) CHRNA7CHRNA10CHRNA9BCHEACHE
SCHEMBL5325925 0.78 HTT (0.57) ACHE
SCHEMBL5282830 0.78 HTT (0.57) ACHE

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 — — WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 — — WO disclosed
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