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SCHEMBL587169

SCHEMBL587169

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(C(F)(F)F)c(C)c1.Cc1cc([C@@H]2C[C@@H](c3cc(=O)[nH]o3)CCN2)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 13/20 0.39
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ PDE2A O00408 1/20 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
SCHEMBL3075349 0.93 PLG (0.39) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL581536 0.93 PLG (0.39) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL591608 0.93 PLG (0.39) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL582622 0.93 PLG (0.39) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL588011 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL581608 0.85 PLG (0.53) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL582084 0.85 PLG (0.53) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL582083 0.85 PLG (0.53) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL582059 0.85 PLG (0.53) PLGGABRA1GABRG2GABRB3PDE2A
SCHEMBL581400 0.85 PLG (0.53) PLGGABRA1GABRG2GABRB3PDE2A

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