SCHEMBL5774905

SCHEMBL5774905

CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cc(Cl)ccc4Cl)c3)cnc2c1F

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.66
GABRG2 P18507 19/20 0.66
GABRB3 P28472 19/20 0.66
GABRA3 P34903 19/20 0.66
GABRA5 P31644 16/20 0.45
GABRA2 P47869 5/20 0.43
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2660285 0.96 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5774137 0.92 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5773973 0.89 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5774778 0.87 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658863 0.86 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659070 0.86 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2660141 0.86 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5772495 0.85 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658693 0.84 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659092 0.83 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5

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-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP claimed