SCHEMBL286356

SCHEMBL286356

Cc1onc(-c2ccc(F)cc2)c1COc1cc(C(=O)NC(O)C2CC2)n(C)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.54
GABRG2 P18507 6/20 0.48
GABRB3 P28472 6/20 0.48
KCNH2 Q12809 4/20 0.48
GABRA1 P14867 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 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
SCHEMBL286291 0.89 GABRA5 (0.68) GABRA5GABRA1
SCHEMBL286658 0.85 GABRA5 (0.59) GABRA5GABRG2GABRB3KCNH2
SCHEMBL286044 0.85 GABRA5 (0.59) GABRA5GABRG2GABRB3KCNH2
SCHEMBL286151 0.85 GABRA5 (0.59) GABRA5GABRG2GABRB3KCNH2
SCHEMBL2098576 0.85 GABRA5 (0.59) GABRA5GABRA1
SCHEMBL297776 0.85 GABRA5 (0.59) GABRA5GABRA1
SCHEMBL285690 0.85 GABRA5 (0.60) GABRA5GABRG2GABRB3KCNH2GABRA1
SCHEMBL2628064 0.85 GABRA5 (0.60) GABRA5GABRG2GABRB3KCNH2GABRA1
SCHEMBL296065 0.85 GABRA5 (0.59) GABRA5GABRA1
SCHEMBL286327 0.83 GABRA5 (0.71) GABRA5GABRA1

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-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed