SCHEMBL6692760

SCHEMBL6692760

CCC(=O)NC1CN(c2ccc(-c3ccc(-n4cnc(N)n4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.45
MAOB P27338 2/20 0.45
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CALML3 P27482 6/20 0.43
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6643168 0.86 CALML3 (0.49) MAOAMAOBCYP2C19CYP3A4CALML3
SCHEMBL6691366 0.86 MAOA (0.54) MAOACYP3A4CALML3CYP2C9
SCHEMBL27854831 0.85 CALML3 (0.48) MAOAMAOBCYP2C19CYP3A4CALML3
SCHEMBL27836837 0.85 CALML3 (0.48) MAOAMAOBCYP2C19CYP3A4CALML3
SCHEMBL6686323 0.84 CYP2C19 (0.43) MAOAMAOBCYP2C19CYP3A4CALML3
SCHEMBL27854873 0.84 CYP3A4 (0.47) MAOAMAOBCYP2C19CYP3A4CALML3
SCHEMBL6624481 0.84 CALML3 (0.47) MAOAMAOBCYP2C19CYP3A4CALML3
SCHEMBL6689916 0.83 MAOA (0.46) MAOAMAOBCYP2C19CYP3A4CALML3
SCHEMBL6665916 0.83 MAOA (0.47) MAOAMAOBCYP2C19CYP3A4CALML3
SCHEMBL6694501 0.82 MAOA (0.48) MAOAMAOBCYP2C19CYP3A4CALML3

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