SCHEMBL2820934

SCHEMBL2820934

CC(=O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 10/20 0.83
FABP3 P05413 9/20 0.83
FABP5 Q01469 9/20 0.83
NPSR1 Q6W5P4 1/20 0.80
CYP2C9 P11712 5/20 0.62
CYP2D6 P10635 4/20 0.62
CYP3A4 P08684 2/20 0.62
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.47
PLA2G2A P14555 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPY5R Q15761 1/20 0.46

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
SCHEMBL14916322 0.91 FABP4 (1.00) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14917289 0.90 FABP4 (0.98) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL2822705 0.87 ALDH1A1 (0.64) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL18231466 0.86 FABP4 (0.79) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14916686 0.86 FABP4 (0.78) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14932771 0.86 FABP4 (0.71) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14917037 0.86 FABP3 (0.74) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL18231455 0.85 FABP4 (0.77) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14916460 0.84 FABP4 (0.87) FABP4FABP3FABP5NPSR1CYP2C9
SCHEMBL14916337 0.84 FABP3 (0.72) 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-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed