SCHEMBL6992835

SCHEMBL6992835

CC(=O)NC[C@H]1CN(c2ccc(N3CC4CSCC4C3)c(F)c2)C(=O)O1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.78
MAOB P27338 5/20 0.78
PTGS1 P23219 2/20 0.73
SDHA P31040 2/20 0.73
LMNA P02545 1/20 0.73
CALML3 P27482 1/20 0.73
F10 P00742 7/20 0.58

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
SCHEMBL6992832 1.00 MAOA (0.78) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6209079 0.91 MAOA (0.77) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8799937 0.91 MAOA (0.75) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8799939 0.91 MAOA (0.75) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6990519 0.90 MAOA (0.79) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6990521 0.90 MAOA (0.79) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6994762 0.90 MAOA (0.71) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6994758 0.90 MAOA (0.71) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14480109 0.89 MAOA (0.77) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6616411 0.89 MAOA (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792273-B1 BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS UPJOHN CO (US) 2003-03-05 EP disclosed
EP-0792273-A1 BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 1997-09-03 EP disclosed
WO-1996015130-A1 BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS PHARMACIA + UPJOHN COMPANY (US) 1996-05-23 WO disclosed