SCHEMBL2825469

SCHEMBL2825469

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PRNP P04156 1/20 0.44
PPARG P37231 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
TACR3 P29371 1/20 0.37

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
SCHEMBL2825632 0.90 ESR1 (0.37) GAAMAPTNPSR1PRNPPPARG
SCHEMBL2823585 0.84 ALDH1A1 (0.61) GAAMAPTNPSR1PRNPPPARG
SCHEMBL2821517 0.83 NPSR1 (0.67) GAAMAPTNPSR1PRNPPPARG
SCHEMBL2823193 0.80 FABP3 (0.45) GAAMAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL2821493 0.80 MAPT (0.46) GAAMAPTNPSR1PRNPPPARG
SCHEMBL2821849 0.80 GAA (0.46) GAAMAPTNPSR1PRNPPPARG
SCHEMBL2823276 0.79 RXFP1 (0.73) GAAMAPTNPSR1PRNPPPARG
SCHEMBL2824583 0.79 NCF1 (0.43) GAAMAPTNPSR1RXFP1ALDH1A1
SCHEMBL2825418 0.78 MAPT (0.44) GAAMAPTNPSR1PRNPPPARG
SCHEMBL4063767 0.75 ALDH1A1 (0.45) GAAMAPTNPSR1PRNPPPARG

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