SCHEMBL5295338

SCHEMBL5295338

CCCCc1cc[n+](C(CC)c2ccccc2)cc1CCCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
LMNA P02545 1/20 0.33
CYSLTR2 Q9NS75 4/20 0.32
CYSLTR1 Q9Y271 4/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL5304678 0.96 HTR2A (0.41) HTR2ACYSLTR2CYSLTR1LIPG
SCHEMBL5295767 0.94 HTR2A (0.43) HTR2ACYSLTR2CYSLTR1LIPG
SCHEMBL5814692 0.94 HTR2A (0.43) HTR2ACYSLTR2CYSLTR1LIPG
SCHEMBL5307399 0.94 HTR2A (0.43) HTR2ACYSLTR2CYSLTR1LIPG
SCHEMBL5295594 0.94 HTR2A (0.43) HTR2ACYSLTR2CYSLTR1LIPG
SCHEMBL5304257 0.94 HTR2A (0.43) HTR2ACYSLTR2CYSLTR1LIPG
SCHEMBL5286065 0.94 HTR2A (0.43) HTR2ACYSLTR2CYSLTR1LIPG
SCHEMBL5296234 0.94 HTR2A (0.43) HTR2ACYSLTR2CYSLTR1LIPG
SCHEMBL5305851 0.94 HTR2A (0.43) HTR2ACYSLTR2CYSLTR1LIPG
SCHEMBL5306447 0.94 HTR2A (0.43) HTR2ACYSLTR2CYSLTR1LIPG

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