SCHEMBL5296234

SCHEMBL5296234

CCCCCCCCCCCCCCc1cc[n+](C(CC)c2ccccc2)cc1CCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
LIPG Q9Y5X9 1/20 0.39
CYSLTR2 Q9NS75 7/20 0.39
CYSLTR1 Q9Y271 7/20 0.39
CYP19A1 P11511 3/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL5814692 1.00 HTR2A (0.43) HTR2ALIPGCYSLTR2CYSLTR1CYP19A1
SCHEMBL5292647 1.00 HTR2A (0.43) HTR2ALIPGCYSLTR2CYSLTR1CYP19A1
SCHEMBL5307399 1.00 HTR2A (0.43) HTR2ALIPGCYSLTR2CYSLTR1CYP19A1
SCHEMBL5286065 1.00 HTR2A (0.43) HTR2ALIPGCYSLTR2CYSLTR1CYP19A1
SCHEMBL5295594 1.00 HTR2A (0.43) HTR2ALIPGCYSLTR2CYSLTR1CYP19A1
SCHEMBL5306447 1.00 HTR2A (0.43) HTR2ALIPGCYSLTR2CYSLTR1CYP19A1
SCHEMBL5295767 1.00 HTR2A (0.43) HTR2ALIPGCYSLTR2CYSLTR1CYP19A1
SCHEMBL5304257 1.00 HTR2A (0.43) HTR2ALIPGCYSLTR2CYSLTR1CYP19A1
SCHEMBL5305851 1.00 HTR2A (0.43) HTR2ALIPGCYSLTR2CYSLTR1CYP19A1
SCHEMBL5302432 1.00 HTR2A (0.43) HTR2ALIPGCYSLTR2CYSLTR1CYP19A1

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