SCHEMBL28812604

SCHEMBL28812604

O=C(O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@@H]1c1cc(F)c(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.45
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL581251 1.00 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL28812154 1.00 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL581325 0.91 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL582506 0.89 PLG (0.42) PLGGABRA1GABRG2GABRB3
SCHEMBL587532 0.89 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL28947716 0.89 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL27965653 0.89 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL582910 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL581318 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL3075079 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3

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
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed