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SCHEMBL580922

SCHEMBL580922

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1c1cc(F)c(Cl)c(F)c1.O=c1cc([C@H]2CCN[C@H](c3cc(F)c(Cl)c(F)c3)C2)o[nH]1

nearest known ligand 0.42

Predicted protein targets (top 6)

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
▸ ADAMTS5 Q9UNA0 4/20 0.31
▸ ADAM17 P78536 2/20 0.30

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
SCHEMBL593386 0.92 PLG (0.43) PLGGABRA1GABRG2GABRB3ADAMTS5
SCHEMBL582670 0.92 PLG (0.43) PLGGABRA1GABRG2GABRB3ADAMTS5
SCHEMBL581964 0.92 PLG (0.43) PLGGABRA1GABRG2GABRB3ADAMTS5
SCHEMBL3088875 0.92 PLG (0.43) PLGGABRA1GABRG2GABRB3ADAMTS5
SCHEMBL587886 0.86 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL582910 0.85 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL3075079 0.85 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL581190 0.85 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL581318 0.85 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL3796661 0.83 PLG (0.40) 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