SCHEMBL21021644

SCHEMBL21021644

CC(=O)C1C(c2ccc(F)c(C(F)(F)F)c2)C1(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.39
CHRNB2 P17787 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SLC9A1 P19634 4/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
AR P10275 2/20 0.36
GRM4 Q14833 1/20 0.36
KIF11 P52732 1/20 0.35

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
SCHEMBL20901183 0.89 NOTUM (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL18146735 0.89 NOTUM (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL18146739 0.89 NOTUM (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL29414010 0.89 NOTUM (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL18146734 0.89 NOTUM (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL20076634 0.87 SLC9A1 (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL30739761 0.87 SLC9A1 (0.40) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL23961569 0.87 MEN1 (0.38) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL30138574 0.87 MEN1 (0.38) ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL23933318 0.87 MEN1 (0.38) 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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed