SCHEMBL24252084

SCHEMBL24252084

CC1CCCn2nc(C(C)(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
UCHL1 P09936 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30
CNR2 P34972 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL17811634 0.90 GRM5 (0.33) KDM4EGRNSORT1HRH4
SCHEMBL22309037 0.82 HRH4 (0.32) UCHL1HRH4
SCHEMBL17811635 0.80 NOS3 (0.33) KCNH2HRH3CNR2
SCHEMBL20320309 0.77 CHRNB2 (0.33)
SCHEMBL20221918 0.76 RIPK1 (0.47)
SCHEMBL25596570 0.75 MAPK13 (0.30)
SCHEMBL26076020 0.75 HRH4 (0.33) KDM4EGRNSORT1HRH4
SCHEMBL20221922 0.72 APP (0.38) KDM4E
SCHEMBL31389700 0.72
SCHEMBL17811628 0.72 RIPK1 (0.32)

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-2022033893-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-02-17 WO disclosed