SCHEMBL22784309

SCHEMBL22784309

CN1CC2CCC(C1)C2OC(=O)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.68
KCNH2 Q12809 2/20 0.68
CHRM2 P08172 2/20 0.56
CHRM1 P11229 2/20 0.56
CACNA1F O60840 1/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
KCNE1 P15382 1/20 0.56
KCNQ1 P51787 1/20 0.56
CACNA1D Q01668 1/20 0.56
CACNA1S Q13698 1/20 0.56
CACNA1C Q13936 1/20 0.56
SCN5A Q14524 1/20 0.56
KCND3 Q9UK17 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.48
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL22777096 1.00 CHRM3 (0.68) CHRM3KCNH2CHRM2CHRM1CACNA1F
SCHEMBL29561013 1.00 CHRM3 (0.68) CHRM3KCNH2CHRM2CHRM1CACNA1F
SCHEMBL22784442 0.92 CHRM3 (0.63) CHRM3KCNH2CHRM2CHRM1CACNA1F
SCHEMBL29560794 0.92 CHRM3 (0.63) CHRM3KCNH2CHRM2CHRM1CACNA1F
SCHEMBL29560986 0.92 CHRM3 (0.63) CHRM3KCNH2CHRM2CHRM1CACNA1F
SCHEMBL22777450 0.92 CHRM3 (0.63) CHRM3KCNH2CHRM2CHRM1CACNA1F
SCHEMBL22776212 0.92 CHRM3 (0.63) CHRM3KCNH2CHRM2CHRM1CACNA1F
SCHEMBL22784295 0.90 CHRM3 (0.64) CHRM3KCNH2CHRM2CHRM1CACNA1F
SCHEMBL22784202 0.89 CHRM3 (0.69) CHRM3KCNH2CHRM2CHRM1CACNA1F
SCHEMBL22784222 0.89 CHRM3 (0.69) CHRM3KCNH2CHRM2CHRM1CACNA1F

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-2023239892-A1 COMPOUNDS FOR MODULATION OF CD68 AND USES THEREOF ARKUDA THERAPEUTICS (US) 2023-12-14 WO disclosed
WO-2020252222-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2020-12-17 WO disclosed