SCHEMBL432153

SCHEMBL432153

O=C(Nc1cc(F)c(Cl)nc1OC1CN(C/C=C/c2ccc(Cl)cc2)C1)c1ccnc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.35
GSK3A P49840 2/20 0.35
SCN9A Q15858 4/20 0.34
MCHR1 Q99705 1/20 0.34
MAPT P10636 3/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL432154 1.00 GSK3B (0.35) GSK3BGSK3ASCN9AMCHR1MAPT
SCHEMBL431257 0.91 MCHR1 (0.34) GSK3BGSK3ASCN9AMCHR1MAPT
SCHEMBL431256 0.91 MCHR1 (0.34) GSK3BGSK3ASCN9AMCHR1MAPT
SCHEMBL432986 0.89 MAPT (0.37) GSK3BGSK3ASCN9AMCHR1MAPT
SCHEMBL432987 0.89 MAPT (0.37) GSK3BGSK3ASCN9AMCHR1MAPT
SCHEMBL435039 0.88 MCHR1 (0.34) GSK3BGSK3ASCN9AMCHR1MAPT
SCHEMBL435038 0.88 MCHR1 (0.34) GSK3BGSK3ASCN9AMCHR1MAPT
SCHEMBL433488 0.88 EBP (0.36) GSK3BGSK3ASCN9AMCHR1MAPT
SCHEMBL432023 0.88 GRM5 (0.34) SCN9AMCHR1PROKR1EBPSIGMAR1
SCHEMBL434931 0.88 GRM5 (0.34) SCN9AMCHR1PROKR1EBPSIGMAR1

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