SCHEMBL582489

SCHEMBL582489

CN1CC[C@H](c2cc(=O)[nH]o2)C[C@@H]1c1cc(F)c(C(F)(F)F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.50
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
SIGMAR1 Q99720 1/20 0.35
PDE2A O00408 1/20 0.32
PSEN1 P49768 1/20 0.31

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
SCHEMBL581280 0.86 PLG (0.47) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL582506 0.84 PLG (0.42) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL581237 0.83 PLG (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581120 0.83 PLG (0.41) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL581593 0.83 PLG (0.41) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL3083243 0.83 PLG (0.41) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL581532 0.83 PLG (0.41) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL581069 0.82 PLG (0.54) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581429 0.81 SIGMAR1 (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581217 0.81 PLG (0.48) PLGSIGMAR1

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