SCHEMBL5296103

SCHEMBL5296103

CCCCCc1ccc[n+](C(CC)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
KCNH2 Q12809 3/20 0.43
GGPS1 O95749 2/20 0.40
SIGMAR1 Q99720 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4A O75164 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HSD11B1 P28845 1/20 0.35
CHRNA7 P36544 1/20 0.35

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 0.99 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5296220 0.99 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5298230 0.99 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5290347 0.99 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5283510 0.99 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5294184 0.99 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5819137 0.99 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5296084 0.99 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5288092 0.99 HTR2A (0.50) HTR2AKCNH2GGPS1SIGMAR1CHRNA7
SCHEMBL5292985 0.99 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-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed