SCHEMBL6715644

SCHEMBL6715644

CC(=O)OC[C@H]1CN(c2cc(F)ccc2C2=CC3[C@H](C#N)[C@H]3C2)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.34
MAOB P27338 3/20 0.34
CALML3 P27482 2/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
SDHA P31040 1/20 0.33
GRM2 Q14416 4/20 0.32
CSF1R P07333 1/20 0.31
KCNH2 Q12809 1/20 0.31
F10 P00742 1/20 0.31
NLRP3 Q96P20 1/20 0.31
CETP P11597 3/20 0.31

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
SCHEMBL6338338 0.87 MAOA (0.44) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6338343 0.87 MAOA (0.44) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6337208 0.87 MAOA (0.44) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6338342 0.87 MAOA (0.44) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6711455 0.86 CALML3 (0.35) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6711244 0.78 GRM2 (0.32) MAOAMAOBGRM2
SCHEMBL6335698 0.73 MAOA (0.60) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6345385 0.73 MAOA (0.60) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6345383 0.73 MAOA (0.60) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6335842 0.73 MAOA (0.60) MAOAMAOBCALML3LMNAPTGS1

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
EP-1385834-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-02-04 EP disclosed
WO-2003027083-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-04-03 WO disclosed