SCHEMBL5206227

SCHEMBL5206227

COc1ccc2nccc(C(=O)CC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3CC=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
CYP2D6 P10635 4/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.41
PIK3CD O00329 3/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PREP P48147 1/20 0.39
EPHX2 P34913 1/20 0.39
SLC2A1 P11166 1/20 0.38
CCR8 P51685 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MET P08581 1/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5211095 1.00 KCNH2 (0.48) KCNH2CYP2D6LMNAKDM4EPIK3CD
SCHEMBL7728974 0.91 KCNH2 (0.50) KCNH2CYP2D6LMNAKDM4EPIK3CD
SCHEMBL5185294 0.88 CYP2D6 (0.51) KCNH2CYP2D6LMNAKDM4EALDH1A1
SCHEMBL6705647 0.87 KCNH2 (0.59) KCNH2
SCHEMBL449105 0.87 KCNH2 (0.52) KCNH2CYP2D6LMNAKDM4EPIK3CD
SCHEMBL449104 0.87 KCNH2 (0.52) KCNH2CYP2D6LMNAKDM4EPIK3CD
SCHEMBL5207282 0.86 MTNR1A (0.43) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5214162 0.86 MTNR1A (0.43) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5736765 0.79 CYP2D6 (0.49) KCNH2CYP2D6LMNAKDM4EALDH1A1
SCHEMBL5736772 0.79 CYP2D6 (0.49) KCNH2CYP2D6LMNAKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484328-B1 Derivatives of quinolyl-propyl-piperidine and their use as antimicrobial agents AVENTIS PHARMA SA (FR) 2007-05-02 EP disclosed
EP-1484328-A1 Derivatives of quinolyl-propyl-piperidine and their use as antimicrobial agents Aventis Pharma S.A. (FR) 2004-12-08 EP disclosed
EP-1218370-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-12-08 EP disclosed
EP-1218370-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed