SCHEMBL5301505

SCHEMBL5301505

CCCc1ccc[n+](C(CC)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
HTR2A P28223 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
LMNA P02545 2/20 0.34
SIGMAR1 Q99720 3/20 0.33
POLB P06746 1/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4A O75164 1/20 0.32
CNR2 P34972 1/20 0.31
CYP19A1 P11511 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL5305643 0.91 HTR2A (0.42) TP53HTR2AOPRM1OPRL1SIGMAR1
SCHEMBL5296103 0.90 HTR2A (0.48) HTR2AOPRM1SIGMAR1KCNH2KDM4A
SCHEMBL5292985 0.88 HTR2A (0.50) HTR2ASIGMAR1KCNH2CYP19A1
SCHEMBL5296084 0.88 HTR2A (0.50) HTR2ASIGMAR1KCNH2CYP19A1
SCHEMBL5298230 0.88 HTR2A (0.50) HTR2ASIGMAR1KCNH2CYP19A1
SCHEMBL5819137 0.88 HTR2A (0.50) HTR2ASIGMAR1KCNH2CYP19A1
SCHEMBL5290347 0.88 HTR2A (0.50) HTR2ASIGMAR1KCNH2CYP19A1
SCHEMBL5294184 0.88 HTR2A (0.50) HTR2ASIGMAR1KCNH2CYP19A1
SCHEMBL5288092 0.88 HTR2A (0.50) HTR2ASIGMAR1KCNH2CYP19A1
SCHEMBL5283510 0.88 HTR2A (0.50) HTR2ASIGMAR1KCNH2CYP19A1

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