SCHEMBL1248465

SCHEMBL1248465

C=CCO/N=C1\C=C(OC)CN(C(=O)O)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1248466 1.00 CHRM2 (0.32) CHRM2CHRM1KDM4EALDH1A1
SCHEMBL994410 0.84 NR1H2 (0.32) KDM4EALDH1A1
SCHEMBL994409 0.84 NR1H2 (0.32) KDM4EALDH1A1
SCHEMBL1251171 0.75 CHRM2 (0.33) CHRM2CHRM1
SCHEMBL1251172 0.75 CHRM2 (0.33) CHRM2CHRM1
SCHEMBL5186361 0.65 CHRM2 (0.31) CHRM2CHRM1
SCHEMBL5260871 0.65 CHRM2 (0.31) CHRM2CHRM1
SCHEMBL1249643 0.65 GAA (0.30)
SCHEMBL5257624 0.65 CHRM2 (0.33) CHRM2CHRM1
SCHEMBL5257617 0.65 CHRM2 (0.33) CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279737-B1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2012-10-31 EP disclosed
EP-2279737-A1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2011-02-02 EP disclosed
EP-1480644-B1 NOVEL HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA+LACTAMASES NOVEXEL (FR) 2010-10-13 EP disclosed
EP-1307457-B1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-04-07 EP disclosed