SCHEMBL828994

SCHEMBL828994

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
PDE10A Q9Y233 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
PIK3C3 Q8NEB9 2/20 0.36
C1R P00736 1/20 0.36
KIT P10721 1/20 0.35
AR P10275 4/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
PTGER3 P43115 2/20 0.34
KMO O15229 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL827900 0.89 FFAR1 (0.43) FFAR1PDE10AAKR1C3AKR1C2PIK3C3
SCHEMBL828049 0.85 FFAR1 (0.42) FFAR1PDE10AAKR1C3AKR1C2PIK3C3
SCHEMBL826935 0.84 FFAR1 (0.44) FFAR1PDE10AAKR1C3AKR1C2PIK3C3
SCHEMBL827979 0.83 FFAR1 (0.41) FFAR1PDE10APIK3C3C1RKIT
SCHEMBL827978 0.82 FFAR1 (0.42) FFAR1PDE10AAKR1C3AKR1C2PIK3C3
SCHEMBL3542338 0.82 FFAR1 (0.38) FFAR1PDE10AAKR1C3AKR1C2PIK3C3
SCHEMBL826952 0.82 FFAR1 (0.46) FFAR1PDE10APIK3C3C1RKIT
SCHEMBL827287 0.81 FFAR1 (0.43) FFAR1PDE10APIK3C3C1RKIT
SCHEMBL824762 0.81 PDE10A (0.40) FFAR1PDE10APIK3C3C1RKIT
SCHEMBL828030 0.80 FFAR1 (0.41) FFAR1PDE10AAKR1C3AKR1C2PIK3C3

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