SCHEMBL5305643

SCHEMBL5305643

CCCCc1ccc[n+](C(CC)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
KCNH2 Q12809 3/20 0.38
OPRL1 P41146 1/20 0.37
KDM4A O75164 1/20 0.36
GGPS1 O95749 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
EPHX2 P34913 2/20 0.35
CNR2 P34972 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL5296103 0.96 HTR2A (0.48) HTR2AKCNH2KDM4AGGPS1CHRM2
SCHEMBL5292985 0.94 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1
SCHEMBL5294184 0.94 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1
SCHEMBL5296084 0.94 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1
SCHEMBL5290347 0.94 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1
SCHEMBL5819137 0.94 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1
SCHEMBL5283510 0.94 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1
SCHEMBL5288092 0.94 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1
SCHEMBL5298230 0.94 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1
SCHEMBL5296220 0.94 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1

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