SCHEMBL6963698

SCHEMBL6963698

CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc3c(c2)CC(C(C)(C)C)N3C(=O)OCc2ccccc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.43
RORC P51449 2/20 0.42
MAOB P27338 5/20 0.41
MAOA P21397 3/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
F2 P00734 1/20 0.38

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
SCHEMBL6963692 1.00 F10 (0.43) F10RORCMAOBMAOALMNA
SCHEMBL6956015 0.88 MAOB (0.44) F10MAOBMAOACALML3
SCHEMBL6972550 0.87 GRM2 (0.38) F10MAOBMAOALMNAPTGS1
SCHEMBL7597985 0.84 GRM2 (0.38) MAOBMAOA
SCHEMBL6964120 0.82 MAOA (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL27578381 0.82 MAOA (0.52) F10MAOBMAOALMNAPTGS1
SCHEMBL6296097 0.82 TMEM97 (0.56)
SCHEMBL5725604 0.82 MAOB (0.56) F10MAOBMAOALMNAPTGS1
SCHEMBL6296095 0.82 TMEM97 (0.56)
SCHEMBL6291704 0.82 TMEM97 (0.56)

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-1181288-B1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT UPJOHN CO (US) 2003-07-30 EP disclosed
US-6387896-B1 GRAMNEGATIVE, GRAMPOSITVE BACTERIA PHARMACIA & UPJOHN CO. 2002-05-14 US disclosed