SCHEMBL6644686

SCHEMBL6644686

C[C@H](C(N)=O)C1CN(c2ccc(-c3ccc(C#N)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 10/20 0.47
CALML3 P27482 5/20 0.46
MAOB P27338 2/20 0.46
CYP2C9 P11712 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL27573559 0.88 CYP2C19 (0.51) CYP2C19CYP3A4MAOACALML3MAOB
SCHEMBL27573562 0.88 CYP2C19 (0.51) CYP2C19CYP3A4MAOACALML3MAOB
SCHEMBL27592147 0.87 CALML3 (0.51) CYP2C19CYP3A4MAOACALML3MAOB
SCHEMBL27592144 0.87 CALML3 (0.51) CYP2C19CYP3A4MAOACALML3MAOB
SCHEMBL27592107 0.84 MAOA (0.49) CYP2C19CYP3A4MAOACALML3MAOB
SCHEMBL27592108 0.84 MAOA (0.49) CYP2C19CYP3A4MAOACALML3MAOB
SCHEMBL27573568 0.83 MAOA (0.48) CYP2C19CYP3A4MAOACALML3MAOB
SCHEMBL27573564 0.83 MAOA (0.48) CYP2C19CYP3A4MAOACALML3MAOB
SCHEMBL27592118 0.83 CYP2C19 (0.49) CYP2C19CYP3A4MAOACALML3MAOB
SCHEMBL27836835 0.83 MAOA (0.48) CYP2C19CYP3A4MAOACALML3MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289984-A4 NOVEL OXAZOLIDINONE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF DONG A PHARM CO LTD (KR) 2004-11-24 EP disclosed
EP-1289984-A1 NOVEL OXAZOLIDINONE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF Dong A Pharmaceutical Co. Ltd. (KR) 2003-03-12 EP disclosed
WO-2001094342-A1 NOVEL OXAZOLIDINONE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF DONG A PHARM. CO., LTD. (KR) 2001-12-13 WO disclosed