SCHEMBL286574

SCHEMBL286574

CCCCc1noc(C)c1COc1ccc(C(=O)N[C@H](C)CO)nn1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.54
GABRA5 P31644 5/20 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
SCHEMBL286683 1.00 GABRA1 (0.54) GABRA1GABRA5
SCHEMBL286260 1.00 GABRA1 (0.54) GABRA1GABRA5
SCHEMBL286586 0.92 GABRA1 (0.62) GABRA1GABRA5
SCHEMBL285612 0.85 GABRA5 (0.67) GABRA1GABRA5
SCHEMBL285611 0.85 GABRA5 (0.67) GABRA1GABRA5
SCHEMBL285561 0.85 GABRA5 (0.67) GABRA1GABRA5
SCHEMBL286587 0.85 GABRA1 (0.56) GABRA1
SCHEMBL7802104 0.84 GABRA5 (0.47) GABRA1GABRA5
SCHEMBL7791577 0.84 GABRA5 (0.47) GABRA1GABRA5
SCHEMBL7791584 0.84 GABRA5 (0.47) 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