SCHEMBL812968

SCHEMBL812968

CN(C)CC(c1ccccn1)N(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
CHRM2 P08172 8/20 0.54
SLC6A2 P23975 6/20 0.54
SLC6A4 P31645 6/20 0.54
SCN1A P35498 3/20 0.54
SCN2A Q99250 3/20 0.54
SCN3A Q9NY46 3/20 0.54
KCNH2 Q12809 6/20 0.48
CHRM1 P11229 6/20 0.48
HRH1 P35367 6/20 0.48
SLC6A3 Q01959 5/20 0.48
HRH3 Q9Y5N1 5/20 0.48
ADRA2B P18089 4/20 0.48
CYP2D6 P10635 4/20 0.48
CHRM5 P08912 4/20 0.48
HTR2A P28223 3/20 0.48
LMNA P02545 3/20 0.48
CHRM4 P08173 3/20 0.48
CHRM3 P20309 3/20 0.48
NFKB1 P19838 2/20 0.48

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
SCHEMBL29683764 0.98 TSHR (0.66) TSHRCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL2681260 0.83 TSHR (0.55) TSHRCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL27901208 0.81 TSHR (0.68) TSHRCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL15618256 0.80 TSHR (0.51) TSHRCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL1205713 0.78 TSHR (0.68) TSHRCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL6282491 0.78 TSHR (0.68) TSHRCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL30679621 0.74 TSHR (0.57) TSHRCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL18988389 0.74 TSHR (0.57) TSHRCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL3910230 0.74 TSHR (0.62) TSHRCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL16999005 0.74 TSHR (0.62) TSHRCHRM2SLC6A2SLC6A4SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8052947-B2 Method for selective separation of trivalent and tetravalent actinoids from trivalent lanthanoids using hybrid donor type extractant having functional group carrying active oxygen and nitrogen atoms JAPAN ATOMIC ENERGY AGENCY (JP) 2011-11-08 US disclosed
US-20090320646-A1 METHOD FOR SELECTIVE SEPARATION OF TRIVALENT AND TETRAVALENT ACTINOIDS FROM TRIVALENT LANTHANOIDS USING HYBRID DONOR TYPE EXTRACTANT HAVING FUNCTIONAL GROUP CARRYING ACTIVE OXYGEN AND NITROGEN ATOMS JAPAN ATOMIC ENERGY AGENCY (JP) 2009-12-31 US disclosed
EP-2128871-A1 METHOD FOR SELECTIVE SEPARATION OF TRIVALENT AND TETRAVALENT ACTINOIDS FROM TRIVALENT LANTHANOIDE USING HYBRID DONOR-TYPE EXTRACTING AGENT HAVING FUNCTIONAL GROUP CARRYING ACTIVE OXYGEN AND NITROGEN ATOMS Japan Atomic Energy Agency (JP) 2009-12-02 EP disclosed