SCHEMBL582131

SCHEMBL582131

CN1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 11/20 0.45
SIGMAR1 Q99720 2/20 0.41
PDE2A O00408 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
ACHE P22303 2/20 0.34
GRM2 Q14416 3/20 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
SCHEMBL581429 0.86 SIGMAR1 (0.51) PLGSIGMAR1PDE2AGABRA1GABRG2
SCHEMBL581391 0.86 PLG (0.38) PLGPDE2AGABRA1GABRG2GABRB3
SCHEMBL581390 0.86 PLG (0.38) PLGPDE2A
SCHEMBL3075019 0.86 PLG (0.38) PLGPDE2A
SCHEMBL581389 0.86 PLG (0.38) PLGPDE2A
SCHEMBL3072586 0.86 PLG (0.38) PLGPDE2A
SCHEMBL27869863 0.86 PLG (0.38) PLGPDE2A
SCHEMBL3795429 0.85 PLG (0.51) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL27869770 0.84 PLG (0.38) PLGPDE2AACHE
SCHEMBL582166 0.83 PLG (0.49) PLGSIGMAR1GABRA1GABRG2GABRB3

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