SCHEMBL286627

SCHEMBL286627

CCCCc1noc(C)c1COc1ccc(C(=O)NCC(C)(C)O)nn1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 18/20 0.54
GABRA5 P31644 2/20 0.49

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
SCHEMBL286587 0.89 GABRA1 (0.56) GABRA1
SCHEMBL285623 0.86 GABRA5 (0.67) GABRA1GABRA5
SCHEMBL286586 0.85 GABRA1 (0.62) GABRA1GABRA5
SCHEMBL286449 0.84 GABRA1 (0.48) GABRA1GABRA5
SCHEMBL286795 0.84 GABRA1 (0.48) GABRA1
SCHEMBL287021 0.83 GABRA1 (0.59) GABRA1
SCHEMBL286574 0.82 GABRA1 (0.54) GABRA1GABRA5
SCHEMBL286260 0.82 GABRA1 (0.54) GABRA1GABRA5
SCHEMBL286683 0.82 GABRA1 (0.54) GABRA1GABRA5
SCHEMBL286650 0.82 GABRA1 (0.48) GABRA1GABRA5

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-2427458-A1 ISOXAZOLE-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
EP-2427458-A1 ISOXAZOLE-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed