SCHEMBL3466035

SCHEMBL3466035

CCN1CCC(N(C)C(=O)OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CCR5 P51681 2/20 0.44
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
OPRM1 P35372 2/20 0.37
THRB P10828 1/20 0.37
HSD11B1 P28845 1/20 0.37
EPHX1 P07099 2/20 0.36
BCHE P06276 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2053864 0.82 HSD11B1 (0.47) SMN1; SMN2CCR5SIGMAR1HSD11B1
SCHEMBL8421935 0.81 SIGMAR1 (0.41) MEN1KMT2ASIGMAR1BCHE
SCHEMBL12051408 0.80 ALDH1A1 (0.46) CCR5KDM4EMAPTKMT2AALDH1A1
SCHEMBL12617041 0.80 SMN1; SMN2 (0.48) SMN1; SMN2CCR5HRH3SIGMAR1OPRM1
SCHEMBL2053926 0.80 SMN1; SMN2 (0.48) SMN1; SMN2CCR5HRH3SIGMAR1OPRM1
SCHEMBL25475927 0.79 SMN1; SMN2 (0.44) SMN1; SMN2CCR5HRH3SIGMAR1HSD11B1
SCHEMBL16375382 0.79
SCHEMBL18346732 0.79 SMN1; SMN2 (0.47) SMN1; SMN2CCR5HRH3SIGMAR1OPRM1
SCHEMBL25479794 0.79 SMN1; SMN2 (0.47) SMN1; SMN2CCR5SIGMAR1OPRM1HSD11B1
SCHEMBL20462329 0.77 SMN1; SMN2 (0.50) SMN1; SMN2CCR5KDM4EHRH3SIGMAR1

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-2176262-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-04-21 EP disclosed
EP-2167196-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS Glaxo Group Limited (GB) 2010-03-31 EP disclosed
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2009000745-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008128962-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
EP-1963324-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-09-03 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2007071936-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-06-28 WO disclosed