SCHEMBL8588152

SCHEMBL8588152

CN(CCOC(=O)C(F)(F)F)C(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.39
CHRM2 P08172 7/20 0.35
CHRM1 P11229 6/20 0.35
CHRM3 P20309 6/20 0.35
CHRM4 P08173 4/20 0.35
CHRM5 P08912 4/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
SCN1A P35498 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
SCN2A Q99250 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
SCHEMBL29019098 0.82 CHRM1 (0.54) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL28740155 0.82 CHRM2 (0.39) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL24596808 0.80 CTSK (0.41) CTSKCHRM2CHRM1CHRM3CHRM4
SCHEMBL12393191 0.79 CTSK (0.44) CTSKCHRM2CHRM1CHRM3CHRM4
SCHEMBL20924692 0.76 CTSK (0.35) CTSKCHRM2CHRM1CHRM3CHRM4
SCHEMBL24596804 0.76 CTSK (0.41) CTSKCHRM2CHRM1CHRM3CHRM4
SCHEMBL12393190 0.74 CTSK (0.46) CTSKCHRM2CHRM1CHRM3CHRM4
SCHEMBL12120311 0.74 CHRM2 (0.53) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL28740123 0.74 SCN1A (0.40) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL28740195 0.74 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM4CHRM5

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
EP-4065155-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2022-10-05 EP disclosed
WO-1998039349-A1 PROTECTING GROUP FOR SYNTHESIZING OLIGONUCLEOTIDE ANALOGS ISIS PHARMACEUTICALS, INC. (US) 1998-09-11 WO disclosed