SCHEMBL586731

SCHEMBL586731

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1c(F)cccc1F.O=c1cc([C@H]2CCN[C@H](Cc3c(F)cccc3F)C2)o[nH]1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.56
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
HCRTR2 O43614 1/20 0.30

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
SCHEMBL581408 0.93 PLG (0.45) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL581905 0.93 PLG (0.45) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL582139 0.93 PLG (0.45) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL3063068 0.93 PLG (0.45) PLGGABRA1GABRG2GABRB3HCRTR2
Acetic Acid SCHEMBL27965387 0.83 PLG (0.69) PLGGABRA1GABRG2GABRB3
Acetic Acid SCHEMBL27965669 0.83 PLG (0.69) PLGGABRA1GABRG2GABRB3
SCHEMBL581208 0.83 PLG (0.78) PLGGABRA1GABRG2GABRB3
SCHEMBL581210 0.83 PLG (0.78) PLGGABRA1GABRG2GABRB3
SCHEMBL581209 0.83 PLG (0.78) PLGGABRA1GABRG2GABRB3
SCHEMBL581883 0.83 PLG (0.78) 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