SCHEMBL582295

SCHEMBL582295

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1CC1CCC(F)(F)CC1.O=c1cc([C@H]2CCN[C@H](CC3CCC(F)(F)CC3)C2)o[nH]1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.53
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL582007 0.93 PLG (0.41) PLGGABRA1GABRG2GABRB3
SCHEMBL582536 0.93 PLG (0.41) PLGGABRA1GABRG2GABRB3
SCHEMBL608719 0.93 PLG (0.41) PLGGABRA1GABRG2GABRB3
SCHEMBL3076532 0.93 PLG (0.41) PLGGABRA1GABRG2GABRB3
Acetic Acid SCHEMBL27869777 0.83 PLG (0.66) PLGGABRA1GABRG2GABRB3
SCHEMBL582420 0.83 PLG (0.74) PLGGABRA1GABRG2GABRB3
SCHEMBL582627 0.83 PLG (0.74) PLGGABRA1GABRG2GABRB3
SCHEMBL582655 0.83 PLG (0.74) PLGGABRA1GABRG2GABRB3
SCHEMBL582421 0.83 PLG (0.74) PLGGABRA1GABRG2GABRB3
SCHEMBL582628 0.83 PLG (0.74) 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