SCHEMBL469775

SCHEMBL469775

C=C1COCCN1c1ccc(NC[C@@H](C)CNC(=O)c2ccc(Cl)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.54
ABCB11 O95342 1/20 0.51
F2 P00734 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51
PTGS2 P35354 1/20 0.46

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
SCHEMBL14838626 0.90 F10 (0.67) F10ABCB11F2ST14PTGS2
SCHEMBL3276611 0.80 F10 (0.67) F10ABCB11F2ST14PTGS2
SCHEMBL2233431 0.80 F10 (0.67) F10ABCB11F2ST14PTGS2
SCHEMBL78971 0.80 F10 (0.67) F10ABCB11F2ST14PTGS2
SCHEMBL8337477 0.80 F10 (0.61) F10F2
SCHEMBL16189805 0.78 F10 (0.83) F10ABCB11F2ST14
SCHEMBL22430697 0.76 F10 (0.60) F10ABCB11F2ST14
SCHEMBL13838767 0.76 F10 (0.61) F10ABCB11F2ST14PTGS2
SCHEMBL15203348 0.73 F10 (0.60) F10ABCB11F2ST14PTGS2
SCHEMBL8231300 0.73 F10 (0.57) F10ABCB11F2ST14PTGS2

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
WO-2012032533-A2 PROCESSES FOR THE PREPARATION OF 4-{4-[5(S)-(AMINOMETHYL)-2-OXO-1,3-OXAZOLIDIN-3-YL]PHENYL} MORPHOLIN-3-ONE SYMED LABS LIMITED (IN) 2012-03-15 WO disclosed