SCHEMBL5763614

SCHEMBL5763614

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.47
F10 P00742 1/20 0.46
MAOB P27338 5/20 0.45
MAOA P21397 4/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
SDHA P31040 1/20 0.45
GRM2 Q14416 4/20 0.44

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
SCHEMBL2890876 1.00 CALML3 (0.47) CALML3F10MAOBMAOALMNA
SCHEMBL6686605 0.88 F10 (0.57) CALML3F10MAOBMAOALMNA
SCHEMBL2891483 0.87 MAOA (0.46) CALML3F10MAOBMAOALMNA
SCHEMBL1556212 0.84 CALML3 (0.45) CALML3F10MAOBMAOALMNA
SCHEMBL1557789 0.84 CALML3 (0.45) CALML3F10MAOBMAOALMNA
SCHEMBL9823484 0.83 GRM2 (0.50) F10GRM2
SCHEMBL1394138 0.83 F10 (0.52) CALML3F10MAOBMAOALMNA
SCHEMBL5917588 0.83 F10 (0.52) CALML3F10MAOBMAOALMNA
SCHEMBL1036374 0.83 F10 (0.52) CALML3F10MAOBMAOALMNA
SCHEMBL1035579 0.83 CALML3 (0.65) CALML3MAOBMAOALMNAPTGS1

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-1539745-B1 N-ARYL-2-OXAZOLIDINONES AND THEIR DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2006-03-29 EP disclosed