SCHEMBL6648173

SCHEMBL6648173

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 5/20 0.44
MAOA P21397 11/20 0.43
MAOB P27338 3/20 0.43
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
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
SCHEMBL6642797 0.93 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL6672692 0.92 CALML3 (0.44) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL6667293 0.92 CALML3 (0.43) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL6669946 0.91 CALML3 (0.45) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL6671240 0.90 CYP2C19 (0.44) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL6666682 0.89 CALML3 (0.44) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL6674066 0.89 CALML3 (0.44) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL6668137 0.87 CALML3 (0.42) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL6644947 0.86 CALML3 (0.41) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL6668870 0.86 CALML3 (0.41) CALML3MAOAMAOBCYP2C19CYP3A4

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