SCHEMBL581280

SCHEMBL581280

CN1CCC(c2cc(=O)[nH]o2)CC1c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.47
KDM1A O60341 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PDE2A O00408 2/20 0.35
CHRM2 P08172 1/20 0.35
DRD2 P14416 1/20 0.35
CHRNB2 P17787 1/20 0.35
DRD4 P21917 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
DRD3 P35462 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
PSEN1 P49768 1/20 0.34

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
SCHEMBL582489 0.86 PLG (0.50) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581081 0.85 PLG (0.40) PLGKDM1AGABRA1GABRG2GABRB3
SCHEMBL581237 0.85 PLG (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL582216 0.84 PLG (0.39) PLGKDM1AGABRA1GABRG2GABRB3
SCHEMBL581999 0.84 PLG (0.39) PLGKDM1AGABRA1GABRG2GABRB3
SCHEMBL582000 0.84 PLG (0.39) PLGKDM1AGABRA1GABRG2GABRB3
SCHEMBL581069 0.84 PLG (0.54) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL27869767 0.84 PLG (0.38) PLGKDM1AGABRA1GABRG2GABRB3
SCHEMBL581217 0.82 PLG (0.48) PLGSIGMAR1CHRM2DRD2DRD3
SCHEMBL581113 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