SCHEMBL828190

SCHEMBL828190

O=C(O)N(CC1CCCCC1)c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
AR P10275 2/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 3/20 0.37
PDE10A Q9Y233 1/20 0.36
CYP3A4 P08684 2/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CYP2D6 P10635 1/20 0.35
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34
PIK3C3 Q8NEB9 2/20 0.34
ABL1 P00519 1/20 0.34
CYP2C9 P11712 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
NPY5R Q15761 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
SCHEMBL828394 0.85 FFAR1 (0.40) FFAR1SLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL826952 0.84 FFAR1 (0.46) FFAR1ARPDE10APIK3C3ALDH1A1
SCHEMBL826935 0.84 FFAR1 (0.44) FFAR1ARPDE10APIK3C3ALDH1A1
SCHEMBL828548 0.83 FFAR1 (0.42) FFAR1ARPDE10APIK3C3ALDH1A1
SCHEMBL827287 0.83 FFAR1 (0.43) FFAR1ARPDE10APIK3C3ALDH1A1
SCHEMBL827978 0.82 FFAR1 (0.42) FFAR1ARPDE10APIK3C3ALDH1A1
SCHEMBL828049 0.81 FFAR1 (0.42) FFAR1ARSLC6A2SLC6A4SLC6A3
SCHEMBL828030 0.80 FFAR1 (0.41) FFAR1ARPDE10APPARGPIK3C3
SCHEMBL828026 0.80 FFAR1 (0.43) FFAR1ARPDE10APIK3C3ALDH1A1
SCHEMBL828396 0.80 FFAR1 (0.41) FFAR1ARPDE10APIK3C3

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-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed