SCHEMBL2824583

SCHEMBL2824583

Cc1nc2c(N3CCOCC3)cccc2c(-c2ccccc2)c1C(=O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.43
NPSR1 Q6W5P4 4/20 0.43
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
MC4R P32245 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MOK Q9UQ07 1/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
PLAUR Q03405 2/20 0.40
LMNA P02545 4/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CD O00329 1/20 0.39

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
SCHEMBL2823193 0.90 FABP3 (0.45) NCF1NPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL2824697 0.89 JAK2 (0.39) NCF1ALDH1A1SMN1; SMN2MOKLMNA
SCHEMBL2826068 0.84 NPSR1 (0.43) NCF1NPSR1ALDH1A1KDM4EMC4R
SCHEMBL2821590 0.80 ALDH1A1 (0.52) NPSR1ALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL2825469 0.79 GAA (0.45) NPSR1ALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL2824985 0.77 HPGD (0.42) NPSR1ALDH1A1HSD17B10SMN1; SMN2MOK
SCHEMBL2824028 0.74 FABP3 (0.43) NCF1NPSR1ALDH1A1KDM4ERXFP1
SCHEMBL2825677 0.73 FABP3 (0.45) NCF1NPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL2821880 0.73 FABP3 (0.45) NCF1NPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL2826514 0.73 TACR1 (0.42) NPSR1SMN1; SMN2GAAMAPTMAPK1

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