SCHEMBL27965673

SCHEMBL27965673

O=C(O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@@H]1Cc1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.48
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL27965648 1.00 PLG (0.48) PLGGABRA1GABRG2GABRB3OPRM1
SCHEMBL582134 1.00 PLG (0.48) PLGGABRA1GABRG2GABRB3OPRM1
SCHEMBL586991 0.89 PLG (0.59) PLGGABRA1GABRG2GABRB3
SCHEMBL581408 0.88 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL582139 0.88 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL3063068 0.88 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL581905 0.88 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL582656 0.86 PLG (0.60) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL27965389 0.86 PLG (0.46) PLGGABRA1GABRG2GABRB3OPRM1
SCHEMBL581599 0.85 PLG (0.57) PLGGABRA1GABRG2GABRB3TACR1

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
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed