SCHEMBL28475017

SCHEMBL28475017

CN(C(=O)C(F)(F)F)C1CCN(OP(=O)(Cl)ON2CCC(N(C)C(=O)C(F)(F)F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.32
KCNH2 Q12809 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL28475019 0.90 PDK2 (0.32) PDK2KCNH2GPR119CHRM2CHRM4
SCHEMBL14995273 0.79 PDK2 (0.33) PDK2KCNH2GPR119CHRM2CHRM4
SCHEMBL28901156 0.76 L3MBTL3 (0.36)
SCHEMBL14980361 0.75 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19384067 0.74 CHRM2 (0.36) PDK2KCNH2CHRM2CHRM4CHRM5
SCHEMBL16219518 0.72 PDK2 (0.36) PDK2KCNH2GPR119CHRM2CHRM4
SCHEMBL2339028 0.71 PDK2 (0.33) PDK2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14500812 0.71 PDK2 (0.33) PDK2CHRM2CHRM4CHRM5CHRM1
SCHEMBL12211963 0.71 PDK2 (0.33) PDK2CHRM2CHRM4CHRM5CHRM1
SCHEMBL24368118 0.71 BRD4 (0.42) PDK2KCNH2CHRM2CHRM4CHRM5

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-111808135-A Functionally modified oligonucleotides and subunits thereof 萨勒普塔医疗公司 2020-10-23 CN disclosed