SCHEMBL286532

SCHEMBL286532

CCCCc1noc(C)c1COc1ccc(C(=O)NC2CCOCC2)nn1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.67
ITGA5 P08648 3/20 0.66

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
SCHEMBL286402 0.95 GABRA1 (0.67) GABRA1ITGA5
SCHEMBL286518 0.95 GABRA1 (0.67) GABRA1ITGA5
SCHEMBL285756 0.86 GABRA5 (0.70) GABRA1ITGA5
SCHEMBL286587 0.84 GABRA1 (0.56) GABRA1ITGA5
SCHEMBL15663247 0.84 GABRA1 (0.54) GABRA1ITGA5
SCHEMBL286280 0.83 GABRA1 (0.49) GABRA1ITGA5
SCHEMBL1776675 0.82 ITGA5 (0.81) GABRA1ITGA5
SCHEMBL286586 0.82 GABRA1 (0.62) GABRA1
SCHEMBL285768 0.82 GABRA5 (0.69) GABRA1ITGA5
SCHEMBL285417 0.82 GABRA5 (0.69) GABRA1ITGA5

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