SCHEMBL5807765

SCHEMBL5807765

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])s3)CC2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.54
CYP2E1 P05181 1/20 0.47
MAOB P27338 9/20 0.45
F10 P00742 9/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44

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
SCHEMBL5812807 0.90 MAOA (0.56) MAOACYP2E1MAOBF10LMNA
SCHEMBL5813178 0.87 MAOA (0.52) MAOACYP2E1MAOBF10LMNA
SCHEMBL5823476 0.83 MAOA (0.55) MAOACYP2E1MAOBF10LMNA
SCHEMBL5808386 0.83 MAOA (0.55) MAOACYP2E1MAOBF10LMNA
SCHEMBL4903091 0.82 MAOB (0.38) MAOAMAOBF10LMNAPTGS1
SCHEMBL6110851 0.82 MAOA (0.62) MAOACYP2E1MAOBF10LMNA
SCHEMBL5833644 0.81 MAOB (0.65) MAOACYP2E1MAOBF10LMNA
SCHEMBL5833650 0.81 MAOB (0.65) MAOACYP2E1MAOBF10LMNA
SCHEMBL30817026 0.79 MAOA (0.59) MAOACYP2E1MAOBF10LMNA
SCHEMBL30817019 0.79 MAOA (0.59) MAOACYP2E1MAOBF10LMNA

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-2006043121-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-27 WO disclosed