SCHEMBL1778385

SCHEMBL1778385

Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)NC(C)(C)CO)nn1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.70
GABRA5 P31644 10/20 0.59
ITGA5 P08648 1/20 0.55

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
SCHEMBL7859783 0.87 GABRA5 (0.53) GABRA1GABRA5
SCHEMBL4165809 0.87 GABRA5 (0.75) GABRA5
SCHEMBL1776252 0.86 GABRA1 (0.70) GABRA1GABRA5ITGA5
SCHEMBL1777284 0.85 GABRA5 (0.75) GABRA1GABRA5ITGA5
SCHEMBL1776581 0.84 GABRA5 (0.73) GABRA1GABRA5ITGA5
SCHEMBL1776696 0.83 GABRA5 (0.52) GABRA1GABRA5
SCHEMBL1776180 0.83 GABRA1 (0.79) GABRA1GABRA5
SCHEMBL20258897 0.82 GABRA1 (1.00) GABRA1
SCHEMBL1776992 0.82 GABRA5 (0.65) GABRA1GABRA5ITGA5
SCHEMBL5960022 0.80 GABRA1 (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
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