SCHEMBL5819137

SCHEMBL5819137

CCCCCCCCCc1ccc[n+](C(CC)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
KCNH2 Q12809 1/20 0.46
GGPS1 O95749 2/20 0.42
SIGMAR1 Q99720 1/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA10 Q9GZZ6 2/20 0.37
CHRNA9 Q9UGM1 2/20 0.37
CYP19A1 P11511 3/20 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
SCHEMBL5283568 1.00 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5290347 1.00 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5296220 1.00 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5292985 1.00 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5298230 1.00 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5283510 1.00 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5288092 1.00 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5296084 1.00 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5294184 1.00 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5298252 1.00 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed