SCHEMBL21079077

SCHEMBL21079077

CC(O)Nc1cc(C(C)N)ccn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.37
NR3C2 P08235 3/20 0.36
CIT O14578 1/20 0.34
MAPK14 Q16539 7/20 0.33
HTR7 P34969 1/20 0.33
MAPK10 P53779 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL21078783 0.87 FDPS (0.36) FDPSNR3C2CITMAPK14HTR7
SCHEMBL21078867 0.84 FDPS (0.34) FDPSNR3C2CITMAPK14HTR7
SCHEMBL4317208 0.80 CIT (0.40) NR3C2CIT
SCHEMBL15358566 0.77 AAK1 (0.49)
SCHEMBL21078952 0.77 AAK1 (0.49)
SCHEMBL22511537 0.77 FDPS (0.60) FDPS
SCHEMBL21078796 0.76 NR3C2 (0.36) NR3C2CITMAPK10
SCHEMBL21079055 0.76 TYK2 (0.50) NR3C2MAPK10
Hydrochloric Acid SCHEMBL15350524 0.76 AAK1 (0.48)
SCHEMBL15358570 0.76 TYK2 (0.50) NR3C2MAPK10

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-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed