SCHEMBL4654905

SCHEMBL4654905

CC(C)(CC(=O)N1CCCCC1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
DPP4 P27487 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
SCHEMBL4959108 0.98 ATM (0.43) MEN1KMT2AL3MBTL1TDP1ATM
SCHEMBL4959138 0.83 CYP1A2 (0.42) KMT2ATDP1CYP1A2HTTALDH1A1
SCHEMBL699752 0.82 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1TDP1ATM
SCHEMBL4954284 0.81 L3MBTL1 (0.47) L3MBTL1GAAHTTALDH1A1SMN1; SMN2
SCHEMBL3318512 0.81 GAA (0.40) KMT2AGAAALDH1A1DPP4
SCHEMBL4958555 0.80 ALDH1A1 (0.53) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL5756527 0.80 ATM (0.45) MEN1KMT2AL3MBTL1TDP1ATM
SCHEMBL2214035 0.80 MEN1 (0.46) MEN1KMT2AL3MBTL1TDP1ATM
SCHEMBL23080297 0.79 MEN1 (0.55) MEN1KMT2AL3MBTL1TDP1ATM
SCHEMBL20121989 0.79 MEN1 (0.55) MEN1KMT2AL3MBTL1TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP claimed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP claimed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
EP-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 WO disclosed
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US disclosed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP disclosed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP disclosed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO disclosed