SCHEMBL6640795

SCHEMBL6640795

CCC(=O)NC1CN(c2ccc(-c3ccc(N4CCN(C(=O)c5c(OC)cccc5OC)CC4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CALML3 P27482 4/20 0.41
MGLL Q99685 1/20 0.40
MAOB P27338 2/20 0.40
CYP2C9 P11712 1/20 0.39
RET P07949 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL6673605 0.89 MAOA (0.44) MAOACYP2C19CYP3A4CALML3MAOB
SCHEMBL6694501 0.87 MAOA (0.48) MAOACYP2C19CYP3A4CALML3MAOB
SCHEMBL6669476 0.87 MAOA (0.44) MAOACYP2C19CYP3A4CALML3MAOB
SCHEMBL6672138 0.86 CALML3 (0.46) MAOACYP2C19CYP3A4CALML3MAOB
SCHEMBL6796175 0.85 MAOA (0.52) MAOACYP2C19CYP3A4CALML3MAOB
SCHEMBL6671715 0.85 CYP3A4 (0.44) MAOACYP2C19CYP3A4CALML3MGLL
SCHEMBL6670663 0.85 CYP2C19 (0.45) MAOACYP2C19CYP3A4CALML3MAOB
SCHEMBL6648595 0.85 MAOA (0.40) MAOACYP2C19CYP3A4KDM4EALDH1A1
SCHEMBL27592345 0.84 KDM4E (0.44) MAOACYP2C19CYP3A4KDM4EALDH1A1
SCHEMBL27592347 0.84 KDM4E (0.44) MAOACYP2C19CYP3A4KDM4EALDH1A1

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