SCHEMBL30799673

SCHEMBL30799673

O=CC1C(c2ccc(F)c(C(F)(F)F)c2)C1(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
CHRNB2 P17787 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
KIF11 P52732 1/20 0.36
AR P10275 11/20 0.35
ABCC9 O60706 2/20 0.34
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34
KCNJ8 Q15842 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
KDM1A O60341 1/20 0.33
GRM4 Q14833 1/20 0.32
NOTUM Q6P988 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
SCHEMBL30138582 1.00 ADRA2A (0.38) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL23961571 1.00 ADRA2A (0.38) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL21996099 1.00 ADRA2A (0.38) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL18143634 0.80 CYP2D6 (0.37) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18143633 0.80 CYP2D6 (0.37) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18143632 0.80 CYP2D6 (0.37) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL25870309 0.78 SLC9A1 (0.47) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL21021644 0.77 ADRA2A (0.39) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL20901183 0.77 NOTUM (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL18146734 0.77 NOTUM (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3

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
CN-117603014-A Meta-diamide compounds for controlling invertebrate pests FMC公司 2024-02-27 CN disclosed