SCHEMBL6672138

SCHEMBL6672138

CCC(=O)NC1CN(c2ccc(-c3ccc(N4CCN(C(=O)CO)CC4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.46
F10 P00742 1/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 9/20 0.45
MAOB P27338 2/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL6669476 0.93 MAOA (0.44) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6694501 0.92 MAOA (0.48) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6642797 0.92 CALML3 (0.47) CALML3F10CYP2C19CYP3A4MAOA
SCHEMBL6673605 0.91 MAOA (0.44) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6667976 0.90 CALML3 (0.44) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6670663 0.90 CYP2C19 (0.45) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6624481 0.89 CALML3 (0.47) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6643591 0.89 CALML3 (0.46) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6665916 0.88 MAOA (0.47) CALML3F10CYP2C19CYP3A4MAOA
SCHEMBL6643604 0.88 CYP2C19 (0.45) CALML3CYP2C19CYP3A4MAOAMAOB

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