SCHEMBL6645845

SCHEMBL6645845

CCC(=O)NC1CN(c2ccc(-c3cnc(N4CCN(C(c5ccccc5)(c5ccccc5)c5ccccc5)CC4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 5/20 0.42
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAOA P21397 10/20 0.41
MAOB P27338 2/20 0.40
CYP2C9 P11712 1/20 0.40
WDR5 P61964 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6666682 0.86 CALML3 (0.44) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6674066 0.86 CALML3 (0.44) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6668870 0.85 CALML3 (0.41) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6667293 0.85 CALML3 (0.43) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6642797 0.85 CALML3 (0.47) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6792719 0.84 MAOA (0.55) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6670460 0.84 CALML3 (0.42) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6648173 0.84 CALML3 (0.44) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6672692 0.84 CALML3 (0.44) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6645340 0.84 WDR5 (0.43) 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