SCHEMBL16079079

SCHEMBL16079079

CCCN1CCN(C(C)(O)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
SIGMAR1 Q99720 2/20 0.51
CHRM4 P08173 3/20 0.47
CHRM5 P08912 3/20 0.47
CHRM3 P20309 3/20 0.47
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
HTR1A P08908 2/20 0.44
CYP2D6 P10635 2/20 0.44
OPRM1 P35372 2/20 0.44
KCNH2 Q12809 2/20 0.44
LMNA P02545 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DRD1 P21728 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL11638601 0.84 CYP2B6 (0.50) CHRM4CHRM5CHRM3CHRM2CHRM1
SCHEMBL16079077 0.83 CYP2B6 (0.58) DRD2SIGMAR1CHRM4CHRM5CHRM3
SCHEMBL6552278 0.77 CYP2B6 (0.62) DRD2SIGMAR1CHRM4CHRM5CHRM3
SCHEMBL55533 0.73 HRH1 (0.67) KCNH2
SCHEMBL5139721 0.73 OPRD1 (0.49) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL11541847 0.73 SMN1; SMN2 (0.54) CYP2D6OPRM1LMNAALDH1A1
SCHEMBL16227060 0.72 CHRM4 (0.49) DRD2SIGMAR1CHRM4CHRM5CHRM3
SCHEMBL16079080 0.72 SLC6A4 (0.66) DRD2SIGMAR1SLC6A4SLC6A3HRH3
SCHEMBL4437324 0.71 CHRM3 (0.50) CHRM4CHRM5CHRM3CHRM2CHRM1
SCHEMBL10652681 0.71 MEN1 (0.50) DRD2SIGMAR1CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9325037-B2 Hetero-ionic aromatic additives for electrochemical cells comprising a metal fuel FLUIDIC, INC. (US) 2016-04-26 US disclosed
US-9312572-B2 Synergistic additives for electrochemical cells with electrodeposited fuel FLUIDIC, INC. (US) 2016-04-12 US disclosed
WO-2014160144-A1 SYNERGISTIC ADDITIVES FOR ELECTROCHEMICAL CELLS WITH ELECTRODEPOSITED FUEL FLUIDIC, INC. (US) 2014-10-02 WO disclosed
US-20140266055-A1 HETERO-IONIC AROMATIC ADDITIVES FOR ELECTROCHEMICAL CELLS COMPRISING A METAL FUEL FLUIDIC, INC. (US) 2014-09-18 US disclosed
US-20140266056-A1 SYNERGISTIC ADDITIVES FOR ELECTROCHEMICAL CELLS WITH ELECTRODEPOSITED FUEL FLUIDIC, INC. (US) 2014-09-18 US disclosed