SCHEMBL582558

SCHEMBL582558

O=c1cc([C@H]2CCN[C@H](C(F)c3cc(F)cc(F)c3)C2)o[nH]1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.55
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48

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
SCHEMBL582079 0.83 PLG (0.65) PLGGABRA1GABRG2GABRB3
SCHEMBL582078 0.83 PLG (0.65) PLGGABRA1GABRG2GABRB3
SCHEMBL581717 0.83 PLG (0.65) PLGGABRA1GABRG2GABRB3
SCHEMBL582080 0.83 PLG (0.65) PLGGABRA1GABRG2GABRB3
Acetic Acid SCHEMBL27852932 0.77 PLG (0.60) PLGGABRA1GABRG2GABRB3
Acetic Acid SCHEMBL27853016 0.77 PLG (0.60) PLGGABRA1GABRG2GABRB3
SCHEMBL581595 0.75 PLG (0.80) PLGGABRA1GABRG2GABRB3
SCHEMBL581201 0.75 PLG (0.80) PLGGABRA1GABRG2GABRB3
SCHEMBL582613 0.75 PLG (0.80) PLGGABRA1GABRG2GABRB3
SCHEMBL582061 0.75 PLG (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed