SCHEMBL4565173

SCHEMBL4565173

CC(O)(COC(N)=O)CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.38
TSHR P16473 3/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
ADRA1A P35348 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 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
SCHEMBL28337286 0.77 LMNA (0.55) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL25132600 0.76
SCHEMBL23175047 0.76
SCHEMBL969952 0.75
SCHEMBL25133111 0.75 LMNA (0.48) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL29136448 0.74 LMNA (0.44) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL28903195 0.74 LMNA (0.52) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL11143156 0.73 LMNA (0.52) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL14189801 0.73
SCHEMBL7354257 0.73

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-2120938-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008085302-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2008-07-17 WO disclosed