SCHEMBL1287012

SCHEMBL1287012

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1CN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.44
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
OPRK1 P41145 2/20 0.32
THRB P10828 1/20 0.32
UTS2R Q9UKP6 2/20 0.32
DPP4 P27487 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
SCHEMBL1287049 0.88 PLG (0.44) PLGGABRA1GABRG2GABRB3OPRK1
SCHEMBL1287047 0.88 PLG (0.44) PLGGABRA1GABRG2GABRB3OPRK1
SCHEMBL1287101 0.88 PLG (0.44) PLGGABRA1GABRG2GABRB3OPRK1
SCHEMBL1287121 0.84 PLG (0.44) PLGGABRA1GABRG2GABRB3UTS2R
SCHEMBL1287115 0.83 PLG (0.40) PLGGABRA1GABRG2GABRB3
SCHEMBL1287118 0.80 PLG (0.43) PLGGABRA1GABRG2GABRB3UTS2R
SCHEMBL586821 0.80 PLG (0.55) PLGGABRA1GABRG2GABRB3THRB
SCHEMBL1287114 0.79 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL580917 0.79 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL581599 0.79 PLG (0.57) PLGGABRA1GABRG2GABRB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012047156-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS PLASMINOGEN INHIBITORS AND THEIR USE IN THE TREATMENT OF FIBRINOLYSIS RELATED DISEASES ASTRAZENECA AB (SE) 2012-04-12 WO disclosed