SCHEMBL6187424

SCHEMBL6187424

N#CC=C1CCN(c2ccc(N3C[C@@H](CO)OC3=O)cc2F)CC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.71
CALML3 P27482 6/20 0.52
MAOB P27338 9/20 0.51
MAOA P21397 4/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
SDHA P31040 1/20 0.51
F10 P00742 3/20 0.47

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
SCHEMBL5098592 1.00 KCNH2 (0.71) KCNH2CALML3MAOBMAOALMNA
SCHEMBL6190462 0.90 KCNH2 (0.59) KCNH2CALML3MAOBMAOALMNA
SCHEMBL6186473 0.90 KCNH2 (0.59) KCNH2CALML3MAOBMAOALMNA
SCHEMBL5102762 0.90 KCNH2 (0.71) KCNH2CALML3MAOBMAOALMNA
SCHEMBL5102766 0.90 KCNH2 (0.71) KCNH2CALML3MAOBMAOALMNA
SCHEMBL14145214 0.88 KCNH2 (0.68) KCNH2CALML3MAOBMAOALMNA
SCHEMBL5102851 0.88 KCNH2 (0.63) KCNH2CALML3MAOBMAOALMNA
SCHEMBL5102848 0.88 KCNH2 (0.63) KCNH2CALML3MAOBMAOALMNA
SCHEMBL5111260 0.87 KCNH2 (0.65) KCNH2CALML3MAOBMAOALMNA
SCHEMBL6190345 0.87 KCNH2 (0.65) KCNH2CALML3MAOBMAOALMNA

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-1565461-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL(ENE)PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Patel, Mahesh V. (IN) 2005-08-24 EP disclosed
WO-2004007489-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL (ENE) PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS OR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WOCKHARDT LIMITED (IN) 2004-01-22 WO disclosed