SCHEMBL581283

SCHEMBL581283

CN1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.57
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL581069 0.88 PLG (0.54) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581276 0.85 PLG (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581237 0.85 PLG (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581217 0.84 PLG (0.48) PLGSIGMAR1
SCHEMBL581994 0.84 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL581907 0.84 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL582046 0.83 PLG (0.48) PLGGABRA1GABRG2GABRB3
SCHEMBL27852956 0.81 PLG (0.47) PLGGABRA1GABRG2GABRB3
SCHEMBL581230 0.81 PLG (0.46) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL587252 0.81 PLG (0.46) PLGGABRA1GABRG2GABRB3SIGMAR1

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