SCHEMBL1777322

SCHEMBL1777322

O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccccn2)nn1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 18/20 0.75
GABRA1 P14867 1/20 0.49
ITGA5 P08648 1/20 0.45

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
SCHEMBL1775856 0.86 GABRA5 (0.64) GABRA5GABRA1ITGA5
SCHEMBL2928597 0.86 GABRA5 (1.00) GABRA5
SCHEMBL1778296 0.84 GABRA5 (0.75) GABRA5GABRA1ITGA5
SCHEMBL1775850 0.84 GABRA5 (0.73) GABRA5GABRA1ITGA5
SCHEMBL1778001 0.83 GABRA5 (0.57) GABRA5ITGA5
SCHEMBL1776801 0.82 GABRA5 (0.74) GABRA5GABRA1ITGA5
SCHEMBL1777103 0.82 GABRA5 (0.76) GABRA5GABRA1ITGA5
SCHEMBL1776352 0.79 GABRA5 (0.58) GABRA5GABRA1ITGA5
SCHEMBL2925697 0.76 GABRA5 (1.00) GABRA5
SCHEMBL2930791 0.75 GABRA5 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 US claimed
US-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 US disclosed