SCHEMBL27870010

SCHEMBL27870010

O=C(O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@@H]1c1ccc(Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 11/20 0.41
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 3/20 0.33
RIPK1 Q13546 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL27852943 1.00 PLG (0.41) PLGGABRA1GABRG2GABRB3SLC6A2
SCHEMBL582464 1.00 PLG (0.41) PLGGABRA1GABRG2GABRB3SLC6A2
SCHEMBL27965653 0.91 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL28947716 0.91 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL587532 0.91 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL581325 0.89 PLG (0.43) PLGGABRA1GABRG2GABRB3RIPK1
SCHEMBL581241 0.89 PLG (0.41) PLGSLC6A2SLC6A4
SCHEMBL580895 0.89 PLG (0.41) PLGSLC6A2SLC6A4
SCHEMBL3076739 0.89 PLG (0.41) PLGSLC6A2SLC6A4
SCHEMBL3075579 0.89 PLG (0.41) PLGSLC6A2SLC6A4

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-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN disclosed