SCHEMBL3831063

SCHEMBL3831063

CN(C[C@H]1CN(c2cc(F)c3c(c2)COC(=O)N3C)C(=O)O1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
MAOB P27338 5/20 0.40
MAOA P21397 6/20 0.39
CALML3 P27482 7/20 0.37
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
SDHA P31040 1/20 0.36
GRM2 Q14416 2/20 0.35

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
SCHEMBL3830901 0.90 MAOA (0.42) F10MAOBMAOACALML3LMNA
SCHEMBL3827590 0.83 MAOA (0.47) F10MAOBMAOACALML3LMNA
SCHEMBL3831707 0.83 F10 (0.47) F10MAOBMAOACALML3LMNA
SCHEMBL3827592 0.83 MAOA (0.39) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5288139 0.83 MAOA (0.45) F10MAOBMAOACALML3LMNA
SCHEMBL3827610 0.82 F10 (0.44) F10MAOBMAOACALML3LMNA
SCHEMBL3833142 0.82 F10 (0.44) F10MAOBMAOACALML3LMNA
SCHEMBL5390521 0.82 F10 (0.46) F10MAOBMAOACALML3LMNA
SCHEMBL3832116 0.82 F10 (0.37) F10MAOBMAOACALML3LMNA
SCHEMBL3829388 0.81 MAOA (0.56) F10MAOBMAOACALML3LMNA

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
EP-1987025-B1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER PROD INC (US) 2009-09-16 EP claimed