SCHEMBL4485708

SCHEMBL4485708

CC(=O)NC[C@H]1CN(c2ccc(-c3cccc(F)c3C3(C#N)C4CN(C(=O)OC(C)(C)C)CC43)c(F)c2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.50
MAOB P27338 4/20 0.49
PTGS1 P23219 2/20 0.49
SDHA P31040 2/20 0.49
LMNA P02545 1/20 0.49
CALML3 P27482 1/20 0.49
F10 P00742 3/20 0.41
TOP2B Q02880 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
SCHEMBL3368120 0.91 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13711578 0.91 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13335202 0.88 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3368260 0.88 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3369776 0.87 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3368308 0.87 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13711565 0.87 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3369153 0.86 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
Hydrochloric Acid SCHEMBL3368616 0.86 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14012749 0.86 MAOA (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed