SCHEMBL6528455

SCHEMBL6528455

CN1C(=O)CCc2cc(N3CC(CN)OC3=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.50
MAOB P27338 4/20 0.41
MAOA P21397 4/20 0.41
CYP11B2 P19099 4/20 0.41
GRM2 Q14416 2/20 0.40
CYP11B1 P15538 2/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
CALML3 P27482 1/20 0.39
SDHA P31040 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
SCHEMBL6528456 1.00 F10 (0.50) F10MAOBMAOACYP11B2GRM2
SCHEMBL8126460 0.88 MAOA (0.55) F10MAOBMAOACYP11B2CYP11B1
SCHEMBL3832132 0.86 F10 (0.48) F10MAOBMAOAGRM2LMNA
SCHEMBL8137777 0.86 ATAD2 (0.55) F10MAOBMAOACYP11B2GRM2
SCHEMBL8132054 0.85 F10 (0.47) F10MAOBMAOAGRM2LMNA
SCHEMBL6531646 0.85 F10 (0.43) F10MAOBMAOAGRM2LMNA
SCHEMBL6531649 0.85 F10 (0.43) F10MAOBMAOAGRM2LMNA
SCHEMBL3832955 0.84 F10 (0.50) F10MAOBMAOAGRM2LMNA
SCHEMBL3832952 0.84 F10 (0.50) F10MAOBMAOAGRM2LMNA
SCHEMBL8118120 0.83 MAOB (0.41) F10MAOBMAOACYP11B2GRM2

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