SCHEMBL8517728

SCHEMBL8517728

CC(=O)NCC1CN(c2cc(F)c(C3=CCN(C(=O)COC(C)=O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.51
MAOB P27338 3/20 0.50
PTGS1 P23219 2/20 0.50
SDHA P31040 2/20 0.50
LMNA P02545 1/20 0.50
CALML3 P27482 1/20 0.50
F10 P00742 4/20 0.41
TOP2B Q02880 1/20 0.41

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
SCHEMBL7030515 1.00 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7020886 0.92 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6399509 0.90 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6399502 0.90 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397251 0.86 MAOA (0.48) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397247 0.86 MAOA (0.48) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6396825 0.86 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6396819 0.86 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5833710 0.86 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5834014 0.85 MAOA (0.38) MAOAMAOBPTGS1SDHALMNA

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
US-5981528-A Antibiotic oxazolidinone derivatives ZENECA LIMITED 1999-11-09 US disclosed