SCHEMBL6528599

SCHEMBL6528599

CN1C(=NC#N)COc2cc(N3CC(CN)OC3=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.46
GRM2 Q14416 5/20 0.37
MAOB P27338 3/20 0.35
MAOA P21397 3/20 0.35
KCNH2 Q12809 2/20 0.35
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
CALML3 P27482 1/20 0.34
SDHA P31040 1/20 0.34

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
SCHEMBL6528600 1.00 F10 (0.46) F10GRM2MAOBMAOAKCNH2
SCHEMBL6508224 0.87 F10 (0.50) F10GRM2MAOBMAOALMNA
SCHEMBL6508220 0.87 F10 (0.50) F10GRM2MAOBMAOALMNA
SCHEMBL6508378 0.86 F10 (0.56) F10MAOBMAOALMNAPTGS1
SCHEMBL6508382 0.86 F10 (0.56) F10MAOBMAOALMNAPTGS1
SCHEMBL6530388 0.85 F10 (0.47) F10GRM2MAOBMAOALMNA
SCHEMBL6505696 0.85 F10 (0.47) F10GRM2MAOBMAOALMNA
SCHEMBL6527478 0.84 F10 (0.50) F10GRM2MAOBMAOALMNA
SCHEMBL6529626 0.84 F10 (0.61) F10GRM2MAOBMAOALMNA
SCHEMBL8131862 0.84 F10 (0.61) F10GRM2MAOBMAOALMNA

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