SCHEMBL1776643

SCHEMBL1776643

Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2CCOCC2)nn1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.80
GABRA5 P31644 2/20 0.76
ITGA5 P08648 3/20 0.75

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
SCHEMBL1776095 0.95 GABRA1 (0.79) GABRA1GABRA5
SCHEMBL1776648 0.91 ITGA5 (0.83) GABRA1GABRA5ITGA5
SCHEMBL1776675 0.90 ITGA5 (0.81) GABRA1GABRA5ITGA5
SCHEMBL1777844 0.90 GABRA5 (0.77) GABRA1GABRA5ITGA5
Alogabat SCHEMBL20241000 0.89 GABRA1 (1.00) GABRA1ITGA5
Alogabat SCHEMBL29500971 0.89 GABRA1 (1.00) GABRA1ITGA5
SCHEMBL20241011 0.87 GABRA1 (1.00) GABRA1ITGA5
SCHEMBL29421367 0.87 GABRA1 (1.00) GABRA1ITGA5
SCHEMBL20241266 0.87 GABRA1 (1.00) GABRA1ITGA5
SCHEMBL29421351 0.87 GABRA1 (1.00) 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
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