SCHEMBL6922988

SCHEMBL6922988

CCN(C=O)CCn1cnc2cc(-c3cccc(F)c3)ccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
LMNA P02545 1/20 0.43
SLC2A1 P11166 1/20 0.42
EIF4EBP1 Q13541 1/20 0.40
BCL2A1 Q16548 3/20 0.39
GRK2 P25098 1/20 0.39
GRK1 Q15835 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
TGFBR1 P36897 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TNF P01375 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6922028 0.85 SLC2A1 (0.52) RAB9ALMNASLC2A1EIF4EBP1BCL2A1
SCHEMBL12059005 0.77 ICMT (0.47) RAB9ALMNASLC2A1EIF4EBP1BCL2A1
SCHEMBL12059006 0.74 RAB9A (0.54) RAB9ALMNASLC2A1EIF4EBP1GRK2
SCHEMBL6920793 0.74 ICMT (0.47) SLC2A1EIF4EBP1GRK2GRK1ROCK2
SCHEMBL12059116 0.72 ADRA1A (0.49) RAB9ALMNASLC2A1
SCHEMBL6921556 0.72 LRRK2 (0.42) BCL2A1GRK2GRK1ALDH1A1TGFBR1
SCHEMBL6921401 0.69 PRPS1 (0.49) SLC2A1GRK2GRK1GRIN2B
SCHEMBL6922249 0.69 MAPT (0.46) RAB9ALMNAEIF4EBP1GRK2GRK1
SCHEMBL6922017 0.69 LMNA (0.43) RAB9ALMNASLC2A1NPC1HPGD
SCHEMBL17260401 0.68 GRK2 (0.53) RAB9ALMNASLC2A1GRK2GRK1

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
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed