SCHEMBL608007

SCHEMBL608007

COC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1Cc1ccc(F)c(F)c1.C[C@@]1(Cc2ccc(F)c(F)c2)C[C@H](c2cc(=O)[nH]o2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLG P00747 7/20 0.35
OPRK1 P41145 1/20 0.32

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
SCHEMBL3088376 0.88 PLG (0.43) PLGOPRK1
SCHEMBL3074735 0.88 PLG (0.43) PLGOPRK1
SCHEMBL3073126 0.88 PLG (0.43) PLGOPRK1
SCHEMBL587770 0.88 PLG (0.43) PLGOPRK1
SCHEMBL581592 0.88 PLG (0.43) PLGOPRK1
SCHEMBL598841 0.86 PLG (0.44) PLG
SCHEMBL607937 0.85 PLG (0.32) PLG
SCHEMBL586885 0.82 PLG (0.39) PLG
SCHEMBL597774 0.81 PLG (0.37) PLG
SCHEMBL582682 0.81 PLG (0.46) PLG

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