SCHEMBL1778256

SCHEMBL1778256

Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CCOCC2)nn1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 11/20 0.77
ENPP2 Q13822 1/20 0.58
GABRA1 P14867 7/20 0.57
ITGA5 P08648 1/20 0.53

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
SCHEMBL1777862 0.95 GABRA5 (0.75) GABRA5ENPP2GABRA1
SCHEMBL1780012 0.91 GABRA5 (0.76) GABRA5ENPP2GABRA1ITGA5
SCHEMBL2929692 0.87 GABRA5 (1.00) GABRA5ITGA5
SCHEMBL1777170 0.85 GABRA5 (0.75) GABRA5ENPP2GABRA1ITGA5
SCHEMBL1777356 0.85 GABRA5 (0.73) GABRA5ENPP2GABRA1
SCHEMBL1778361 0.84 GABRA5 (0.77) GABRA5ENPP2GABRA1ITGA5
SCHEMBL286336 0.83 GABRA5 (0.71) GABRA5GABRA1ITGA5
SCHEMBL1776643 0.83 GABRA1 (0.80) GABRA5GABRA1ITGA5
SCHEMBL1778670 0.83 ENPP2 (0.68) GABRA5ENPP2GABRA1
SCHEMBL1778131 0.83 ENPP2 (0.67) GABRA5ENPP2GABRA1

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 1 patent. 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 disclosed