SCHEMBL461386

SCHEMBL461386

O=C(Nc1cc(Cl)nnc1OC1CN(C/C=C/c2ccc(Cl)cc2)C1)c1ccnc(Cl)c1.O=C(Nc1cc(Cl)nnc1OC1CNC1)c1ccnc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
WNT1 P04628 3/20 0.33
GSK3B P49841 3/20 0.33
DYRK1A Q13627 3/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
MCHR1 Q99705 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PROKR1 Q8TCW9 1/20 0.32

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
SCHEMBL461387 1.00 SLC6A3 (0.34) SLC6A3KCNH2TAAR1EBPSIGMAR1
SCHEMBL433488 0.95 EBP (0.36) EBPSIGMAR1GSK3BMCHR1LMNA
SCHEMBL432987 0.86 MAPT (0.37) EBPSIGMAR1GSK3BMCHR1LMNA
SCHEMBL432986 0.86 MAPT (0.37) EBPSIGMAR1GSK3BMCHR1LMNA
SCHEMBL432154 0.84 GSK3B (0.35) EBPSIGMAR1GSK3BMCHR1PROKR1
SCHEMBL432153 0.84 GSK3B (0.35) EBPSIGMAR1GSK3BMCHR1PROKR1
SCHEMBL434455 0.83 SLC6A3 (0.45) SLC6A3KCNH2TAAR1WNT1GSK3B
SCHEMBL431257 0.83 MCHR1 (0.34) EBPSIGMAR1GSK3BMCHR1LMNA
SCHEMBL435039 0.83 MCHR1 (0.34) EBPSIGMAR1GSK3BMCHR1LMNA
SCHEMBL431256 0.83 MCHR1 (0.34) EBPSIGMAR1GSK3BMCHR1LMNA

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-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO disclosed