SCHEMBL8613857

SCHEMBL8613857

CC(O)NCCCCCCNCc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.67
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
MPO P05164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ACHE P22303 3/20 0.47
SCN8A Q9UQD0 1/20 0.47
LMNA P02545 1/20 0.46
FOLH1 Q04609 1/20 0.45
CYP2D6 P10635 2/20 0.44
KCNH2 Q12809 2/20 0.44
MAOA P21397 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 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
SCHEMBL8613882 0.84 MAOA (0.67) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8612202 0.84 MAOA (0.67) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8614361 0.84 MAOA (0.67) CHRM2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL8610424 0.83 MAOA (0.65) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8610696 0.82 CHRM2 (0.71) CHRM2L3MBTL1SCN8ALMNA
SCHEMBL8610456 0.80 SLC2A1 (0.45) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7367054 0.79 HPGD (0.51) LMNACYP2D6
SCHEMBL8328363 0.78 CHRM2 (0.79) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL10045185 0.77 CHRM2 (0.92) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8019471 0.77 CHRM2 (0.82) CHRM2HDAC3HDAC1HDAC2HDAC8

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
US-5847092-A Erythromycin A 9-0 oxime derivatives endowed with antibiotic activity ZAMBON GROUP S.P.A. (IT) 1998-12-08 US disclosed