SCHEMBL6988124

SCHEMBL6988124

COc1cccc2onc(OCCNC(=O)OC(C)(C)C)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
DRD2 P14416 5/20 0.43
KCNA5 P22460 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
BCHE P06276 1/20 0.41
CNR2 P34972 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.39
KCNH2 Q12809 1/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6988405 0.87 CA12 (0.44) SCN9ACA12CA1CA2CA9
SCHEMBL6988469 0.87 LMNA (0.45) SCN9ADRD2CA12CA1CA2
SCHEMBL6987846 0.86 CA12 (0.41) SCN9ADRD2CA12CA1CA2
SCHEMBL6988434 0.86 SCN9A (0.48) SCN9ACA12CA1CA2CA9
SCHEMBL6988529 0.86 CA12 (0.45) SCN9ACA12CA1CA2CA9
SCHEMBL6989405 0.85 CA1 (0.47) SCN9ACA12CA1CA2CA9
SCHEMBL6992683 0.83 CA12 (0.40) SCN9ACA12CA1CA2CA9
SCHEMBL6991922 0.83 SCN9A (0.46) SCN9ADRD2CA12CA1CA2
SCHEMBL6992284 0.81 CA12 (0.44) SCN9ACA12CA1CA2CA9
SCHEMBL6988458 0.81 FAAH (0.51) SCN9ACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed