SCHEMBL1778671

SCHEMBL1778671

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

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.59
ENPP2 Q13822 1/20 0.56

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
SCHEMBL1777298 0.90 GABRA5 (0.63) GABRA5ENPP2
SCHEMBL2926224 0.85 ENPP2 (0.66) GABRA5ENPP2
SCHEMBL1778130 0.83 GABRA5 (0.72) GABRA5ENPP2
SCHEMBL1778670 0.81 ENPP2 (0.68) GABRA5ENPP2
SCHEMBL1778131 0.80 ENPP2 (0.67) GABRA5ENPP2
SCHEMBL1777862 0.79 GABRA5 (0.75) GABRA5ENPP2
SCHEMBL1775811 0.79 GABRA5 (0.66) GABRA5ENPP2
SCHEMBL1778260 0.79 GABRA5 (0.73) GABRA5ENPP2
SCHEMBL1776603 0.79 GABRA5 (0.69) GABRA5ENPP2
SCHEMBL1777356 0.79 GABRA5 (0.73) GABRA5ENPP2

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