SCHEMBL581966

SCHEMBL581966

CN1CC[C@H](c2cc(=O)[nH]o2)C[C@@H]1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLG P00747 10/20 0.48
NR3C1 P04150 2/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL582315 0.89 PLG (0.48) PLG
SCHEMBL582745 0.86 PLG (0.46) PLG
SCHEMBL581785 0.86 PLG (0.46) PLG
SCHEMBL581456 0.85 PLG (0.43) PLG
SCHEMBL587265 0.85 PLG (0.43) PLG
SCHEMBL580908 0.85 PLG (0.43) PLG
SCHEMBL3081759 0.85 PLG (0.43) PLG
SCHEMBL27870001 0.84 PLG (0.44) PLG
SCHEMBL582382 0.82 PLG (0.49) PLG
SCHEMBL581017 0.82 PLG (0.49) 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