SCHEMBL581017

SCHEMBL581017

CN1CC[C@H](c2cc(=O)[nH]o2)C[C@@H]1Cc1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.49
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL582382 1.00 PLG (0.49) PLGGABRA1GABRG2GABRB3ADRA1A
SCHEMBL587466 0.86 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL583159 0.86 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL582150 0.86 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL582682 0.85 PLG (0.46) PLGGABRA1GABRG2GABRB3
SCHEMBL27965657 0.85 PLG (0.46) PLGGABRA1GABRG2GABRB3
SCHEMBL582315 0.84 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL583154 0.84 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL582115 0.84 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL581592 0.83 PLG (0.43) 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