SCHEMBL1776219

SCHEMBL1776219

Cc1cc(OCc2c(-c3ccccc3)noc2C)nnc1C(=O)NC1CCOCC1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.81
GABRA5 P31644 15/20 0.72
ITGA5 P08648 3/20 0.63

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
SCHEMBL1778133 0.95 GABRA1 (0.73) GABRA1GABRA5
SCHEMBL29421328 0.90 GABRA1 (1.00) GABRA1
SCHEMBL20240975 0.90 GABRA1 (1.00) GABRA1
SCHEMBL1776648 0.86 ITGA5 (0.83) GABRA1GABRA5ITGA5
SCHEMBL2930330 0.83 GABRA5 (1.00) GABRA5ITGA5
SCHEMBL1776889 0.83 GABRA5 (0.58) GABRA1GABRA5
SCHEMBL286119 0.83 GABRA5 (0.72) GABRA5ITGA5
SCHEMBL1776887 0.83 GABRA5 (0.67) GABRA1GABRA5
SCHEMBL2928005 0.82 GABRA5 (1.00) GABRA1GABRA5ITGA5
SCHEMBL1778114 0.82 GABRA5 (0.59) 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
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