SCHEMBL535810

SCHEMBL535810

CCCCc1noc(CO)c1COc1ccc(C(=O)N2CCSC(=O)C2=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.41

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
SCHEMBL536274 0.83 GABRA5 (0.54) GABRA5
SCHEMBL535889 0.81 GABRA5 (0.57) GABRA5
SCHEMBL3110176 0.80 GABRA5 (0.58) GABRA5
SCHEMBL536026 0.80 MAPT (0.48) GABRA5
SCHEMBL535818 0.78 GABRA5 (0.51) GABRA5
SCHEMBL535819 0.76 GABRA5 (0.55) GABRA5
SCHEMBL535829 0.75 GABRA5 (0.59) GABRA5
SCHEMBL14142533 0.74 GABRA5 (0.47) GABRA5
SCHEMBL535825 0.74 GABRA5 (0.56) GABRA5
SCHEMBL535961 0.74 GABRA5 (0.56) GABRA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414354-A1 Hydroxy-methyl isoxazole derivatives as gaba a modulators F. Hoffmann-La Roche AG (CH) 2012-02-08 EP disclosed
WO-2010112475-A1 HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 WO disclosed