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Sugi Predict / Compounds / SCHEMBL6762885

SCHEMBL6762885

SCHEMBL6762885

O=C([C@@H](O)CO)N1CC=C(c2c(F)cc(N3C[C@H](CNc4cnsn4)OC3=O)cc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.35
▸ F10 P00742 13/20 0.35
▸ MAOB P27338 2/20 0.35
▸ CALML3 P27482 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ SDHA P31040 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL5833333 0.91 MAOA (0.45) MAOAF10MAOBCALML3
SCHEMBL5834210 0.90 F10 (0.43) MAOAF10MAOBCALML3LMNA
SCHEMBL5834079 0.87 CALML3 (0.37) MAOAF10MAOBCALML3LMNA
SCHEMBL5834248 0.86 MAOA (0.49) MAOAF10MAOBCALML3LMNA
SCHEMBL5833888 0.86 MAOA (0.38) MAOAF10MAOBCALML3LMNA
SCHEMBL7081414 0.85 MAOA (0.34) MAOAF10MAOBCALML3TRPV1
SCHEMBL5833627 0.85 F10 (0.35) MAOAF10MAOBCALML3LMNA
SCHEMBL5845072 0.85 MAOA (0.36) MAOAF10MAOBCALML3LMNA
SCHEMBL5834266 0.85 MAOA (0.35) MAOAF10MAOBCALML3LMNA
SCHEMBL6765989 0.85 MAOA (0.38) MAOAF10MAOBCALML3LMNA

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-6734200-B1 ANTIBIOTIC COMPOUNDS CONTAINING A SUBSTITUTED OXAZOLIDINONE RING; ACTIVITY AGAINST GRAM-POSITIVE PATHOGENS ASTRAZENECA AB (SE) 2004-05-11 — — US disclosed