SCHEMBL5299764

SCHEMBL5299764

CCCCc1cc[n+](C(CC)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
OPRL1 P41146 1/20 0.42
KCNH2 Q12809 3/20 0.41
HSD11B1 P28845 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4A O75164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 3/20 0.37

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
SCHEMBL5292689 0.95 HTR2A (0.55) HTR2AOPRL1KCNH2HSD11B1CHRM2
SCHEMBL5293929 0.94 HTR2A (0.57) HTR2AKCNH2HSD11B1CHRM2ADRA2A
SCHEMBL5296471 0.94 HTR2A (0.57) HTR2AKCNH2HSD11B1CHRM2ADRA2A
SCHEMBL5298827 0.94 HTR2A (0.57) HTR2AKCNH2HSD11B1CHRM2ADRA2A
SCHEMBL5298236 0.94 HTR2A (0.57) HTR2AKCNH2HSD11B1CHRM2ADRA2A
SCHEMBL5817690 0.94 HTR2A (0.57) HTR2AKCNH2HSD11B1CHRM2ADRA2A
SCHEMBL5302152 0.94 HTR2A (0.57) HTR2AKCNH2HSD11B1CHRM2ADRA2A
SCHEMBL5815084 0.94 HTR2A (0.57) HTR2AKCNH2HSD11B1CHRM2ADRA2A
SCHEMBL5819149 0.94 HTR2A (0.57) HTR2AKCNH2HSD11B1CHRM2ADRA2A
SCHEMBL5303662 0.94 HTR2A (0.57) HTR2AKCNH2HSD11B1CHRM2ADRA2A

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