SCHEMBL7488558

SCHEMBL7488558

CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ncc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.67
MAOB P27338 5/20 0.67
PTGS1 P23219 2/20 0.65
SDHA P31040 2/20 0.65
LMNA P02545 1/20 0.65
CALML3 P27482 1/20 0.65
F10 P00742 10/20 0.54

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
SCHEMBL7488564 1.00 MAOA (0.67) MAOAMAOBPTGS1SDHALMNA
SCHEMBL18426190 0.87 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL18426191 0.87 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5726750 0.86 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5726745 0.86 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8307814 0.86 MAOA (0.67) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8579626 0.86 MAOA (0.67) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8574856 0.84 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8451193 0.84 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7491032 0.84 MAOA (0.61) 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
EP-0883611-B1 AZOLYL PIPERAZINYL PHENYL OXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 2002-07-31 EP claimed