SCHEMBL433153

SCHEMBL433153

CC(C)(C)OC(=O)N1CC(Oc2ncc(Cl)cc2NC(=O)c2ccnc(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNG1 Q06432 1/20 0.38
CACNB2 Q08289 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL432998 0.89 TAS1R3 (0.39) ANO1TAS1R3TAS1R1TAS1R2CACNB4
SCHEMBL432002 0.88 TAS1R3 (0.38) ANO1TAS1R3TAS1R1TAS1R2CACNB4
SCHEMBL432424 0.87 PIK3CD (0.39) ANO1TAS1R3TAS1R1TAS1R2CACNB4
SCHEMBL431263 0.86 HDAC1 (0.37) ANO1TAS1R3TAS1R1TAS1R2CACNB4
SCHEMBL433484 0.86 HDAC1 (0.37) ANO1TAS1R3TAS1R1TAS1R2CACNB4
SCHEMBL433154 0.86 HDAC2 (0.39) TAS1R3TAS1R1TAS1R2GSK3BGSK3A
SCHEMBL432167 0.84 TRPV1 (0.40) ANO1TAS1R3TAS1R1TAS1R2GPBAR1
SCHEMBL431125 0.80 SLC6A3 (0.45) TAS1R3TAS1R1TAS1R2GSK3BGSK3A
SCHEMBL433103 0.76 HDAC2 (0.39) TAS1R3TAS1R1TAS1R2GSK3BMAPT
SCHEMBL955829 0.76 GPR6 (0.52) MAPT

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