SCHEMBL18222162

SCHEMBL18222162

O=C(O)Oc1c(N2CCCC2=O)nc2ccc(Cl)cc2c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 10/20 0.53
FABP3 P05413 9/20 0.53
FABP5 Q01469 9/20 0.53
NPSR1 Q6W5P4 1/20 0.47
CYP2C9 P11712 5/20 0.44
CYP2D6 P10635 4/20 0.44
KDM4E B2RXH2 3/20 0.41
PLA2G2A P14555 1/20 0.41
CYP3A4 P08684 2/20 0.40
PDE10A Q9Y233 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAP2 P11137 1/20 0.36

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
SCHEMBL14917232 0.85 FABP4 (0.70) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL18222163 0.84 FABP4 (0.69) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL18222149 0.83 FABP4 (0.71) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14917297 0.80 FABP4 (0.53) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14916151 0.80 FABP4 (0.49) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL18222212 0.80 NPSR1 (0.70) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL18222158 0.78 FABP4 (0.61) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL18222170 0.78 FABP4 (0.55) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL18222221 0.78 FABP4 (0.62) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14916882 0.77 FABP4 (0.51) FABP4FABP3FABP5NPSR1CYP2C9

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
EP-2773619-B1 NEW ARYL-QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP claimed