SCHEMBL6508220

SCHEMBL6508220

CN1C(=NO)COc2cc(N3C[C@@H](CN)OC3=O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.50
MAOA P21397 5/20 0.39
MAOB P27338 3/20 0.39
CALML3 P27482 2/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
SDHA P31040 1/20 0.38
GRM2 Q14416 4/20 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
SCHEMBL6508224 1.00 F10 (0.50) F10MAOAMAOBCALML3LMNA
SCHEMBL6530388 0.88 F10 (0.47) F10MAOAMAOBCALML3LMNA
SCHEMBL6505696 0.88 F10 (0.47) F10MAOAMAOBCALML3LMNA
SCHEMBL6528599 0.87 F10 (0.46) F10MAOAMAOBCALML3LMNA
SCHEMBL6528600 0.87 F10 (0.46) F10MAOAMAOBCALML3LMNA
SCHEMBL6527478 0.86 F10 (0.50) F10MAOAMAOBCALML3LMNA
SCHEMBL6529626 0.86 F10 (0.61) F10MAOAMAOBCALML3LMNA
SCHEMBL8131862 0.86 F10 (0.61) F10MAOAMAOBCALML3LMNA
SCHEMBL6529624 0.86 F10 (0.61) F10MAOAMAOBCALML3LMNA
SCHEMBL6508878 0.85 F10 (0.59) F10MAOAMAOBCALML3LMNA

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
WO-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed