SCHEMBL8145286

SCHEMBL8145286

CN1C(=O)COc2cc(N3C[C@H](COS(C)(=O)=O)OC3=O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.56
MAOB P27338 4/20 0.41
CYP11B2 P19099 2/20 0.39
MAOA P21397 2/20 0.39
GRM2 Q14416 6/20 0.38
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
CYP11B1 P15538 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL6527873 0.87 F10 (0.44) F10MAOBMAOAGRM2
SCHEMBL8145434 0.84 F10 (0.56) F10MAOBMAOAGRM2
SCHEMBL6529666 0.83 F10 (0.64) F10MAOBCYP11B2MAOACYP11B1
SCHEMBL8131862 0.83 F10 (0.61) F10MAOBCYP11B2MAOAGRM2
SCHEMBL6529624 0.83 F10 (0.61) F10MAOBCYP11B2MAOAGRM2
SCHEMBL6529626 0.83 F10 (0.61) F10MAOBCYP11B2MAOAGRM2
SCHEMBL3829363 0.83 MAOB (0.41) F10MAOBMAOAGRM2
SCHEMBL8118120 0.83 MAOB (0.41) F10MAOBCYP11B2MAOAGRM2
SCHEMBL3829368 0.83 MAOB (0.41) F10MAOBMAOAGRM2
SCHEMBL591031 0.81 SIGMAR1 (0.46) MAOBMAOAGRM2

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-1049692-A1 NOVEL BICYCLENE-SUBSTITUTED OXAZOLIDINONES Bayer Aktiengesellschaft (DE) 2000-11-08 EP disclosed
WO-1999037641-A1 NOVEL BICYCLENE-SUBSTITUTED OXAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed