SCHEMBL6506845

SCHEMBL6506845

CN1C(=NO)CCc2cc(N3CC(C(N)=O)OC3=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.44
F10 P00742 3/20 0.34
MAOB P27338 3/20 0.34
HTR6 P50406 4/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
CALML3 P27482 1/20 0.33
SDHA P31040 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
METAP2 P50579 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
SCHEMBL6506847 1.00 MAOA (0.44) MAOAF10MAOBHTR6LMNA
SCHEMBL3029206 0.87 MAOA (0.47) MAOAF10MAOBHTR6METAP2
SCHEMBL6686796 0.87 MAOA (0.47) MAOAF10MAOBHTR6METAP2
SCHEMBL3829481 0.84 MAOA (0.49) MAOAF10MAOBHTR6LMNA
SCHEMBL14433150 0.83 MAOA (0.44) MAOAF10MAOBHTR6LMNA
SCHEMBL5998601 0.81 MAOA (0.51) MAOAF10MAOBLMNAPTGS1
SCHEMBL6505153 0.80 MAOA (0.58) MAOAF10MAOBLMNAPTGS1
SCHEMBL6505152 0.80 MAOA (0.58) MAOAF10MAOBLMNAPTGS1
SCHEMBL3829530 0.80 MAOA (0.47) MAOAF10MAOBHTR6LMNA
SCHEMBL3831636 0.80 MAOA (0.47) MAOAF10MAOBHTR6LMNA

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
WO-2005087763-A9 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2005-10-27 WO disclosed
WO-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed