SCHEMBL5305808

SCHEMBL5305808

CCCCCc1cc(CCCCC)c[n+](C(CC)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
KCNH2 Q12809 1/20 0.43
CHRNA7 P36544 2/20 0.37
CHRNA10 Q9GZZ6 2/20 0.37
CHRNA9 Q9UGM1 2/20 0.37
HSD11B1 P28845 1/20 0.37
CYP19A1 P11511 3/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
GPR3 P46089 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTGS2 P35354 1/20 0.36
OPRL1 P41146 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL5298759 0.98 HTR2A (0.54) HTR2AKCNH2CHRNA7CHRNA10CHRNA9
SCHEMBL5292993 0.98 HTR2A (0.54) HTR2AKCNH2CHRNA7CHRNA10CHRNA9
SCHEMBL5296912 0.98 HTR2A (0.54) HTR2AKCNH2CHRNA7CHRNA10CHRNA9
SCHEMBL5285257 0.98 HTR2A (0.54) HTR2AKCNH2CHRNA7CHRNA10CHRNA9
SCHEMBL5299892 0.98 HTR2A (0.54) HTR2AKCNH2CHRNA7CHRNA10CHRNA9
SCHEMBL5297202 0.98 HTR2A (0.54) HTR2AKCNH2CHRNA7CHRNA10CHRNA9
SCHEMBL5301734 0.98 HTR2A (0.54) HTR2AKCNH2CHRNA7CHRNA10CHRNA9
SCHEMBL5284369 0.98 HTR2A (0.54) HTR2AKCNH2CHRNA7CHRNA10CHRNA9
SCHEMBL5297565 0.98 HTR2A (0.54) HTR2AKCNH2CHRNA7CHRNA10CHRNA9
SCHEMBL5818188 0.98 HTR2A (0.54) HTR2AKCNH2CHRNA7CHRNA10CHRNA9

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