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Sugi Predict / Compounds / SCHEMBL28757341

SCHEMBL28757341

SCHEMBL28757341

CC(=O)N(F)C[C@@H]1CN(c2ccc(N3CCNCC3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.61
▸ F10 P00742 6/20 0.59
▸ MAOA P21397 5/20 0.57
▸ PTGS1 P23219 2/20 0.57
▸ SDHA P31040 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CALML3 P27482 1/20 0.57
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL6629866 0.85 F10 (0.65) MAOBF10MAOAPTGS1SDHA
SCHEMBL3197103 0.85 F10 (0.65) MAOBF10MAOAPTGS1SDHA
SCHEMBL2088562 0.84 F10 (0.58) MAOBF10MAOAPTGS1SDHA
Hydrochloric Acid SCHEMBL6610396 0.84 F10 (0.64) MAOBF10MAOAPTGS1SDHA
Hydrochloric Acid SCHEMBL6610394 0.84 F10 (0.64) MAOBF10MAOAPTGS1SDHA
SCHEMBL1498511 0.83 MAOA (0.80) MAOBF10MAOAPTGS1SDHA
SCHEMBL1894257 0.83 MAOA (0.80) MAOBF10MAOAPTGS1SDHA
SCHEMBL27614703 0.83 MAOB (0.55) MAOBF10MAOAPTGS1SDHA
Hydrochloric Acid SCHEMBL4689047 0.83 MAOA (0.79) MAOBF10MAOAPTGS1SDHA
Hydrochloric Acid SCHEMBL4689051 0.83 MAOA (0.79) MAOBF10MAOAPTGS1SDHA

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
CN-1668308-A Oxazolidinone derivatives as antimicrobials RANBAXY LAB LTD (IN) 2005-09-14 — — CN disclosed