SCHEMBL581752

SCHEMBL581752

COC(=O)N1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1C(F)c1cc(F)cc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.42
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
HCRTR2 O43614 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
SCHEMBL587503 1.00 PLG (0.42) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL586539 0.87 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL582261 0.87 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL580966 0.87 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL3083145 0.87 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL3076220 0.82 PLG (0.43) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL581435 0.82 PLG (0.43) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL3069006 0.82 PLG (0.43) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL3069017 0.82 PLG (0.43) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL581825 0.82 PLG (0.43) PLGGABRA1GABRG2GABRB3HCRTR2

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