SCHEMBL4695166

SCHEMBL4695166

C=CCO/N=C1\CN(C(=O)O)Cc2c1cnn2Cc1ccc(OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 9/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.34
UCHL1 P09936 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
TOP2A P11388 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL4695168 1.00 NPBWR1 (0.36) NPBWR1LMNATSHRMCHR1KDM4E
SCHEMBL4142495 0.90 KDM1A (0.38) NPBWR1LMNATSHRMCHR1UCHL1
SCHEMBL4142491 0.90 KDM1A (0.38) NPBWR1LMNATSHRMCHR1UCHL1
SCHEMBL5260871 0.79 CHRM2 (0.31)
SCHEMBL5260866 0.79 CHRM2 (0.31)
SCHEMBL4693154 0.76 MEN1 (0.38) LMNAKDM4E
SCHEMBL4693156 0.76 MEN1 (0.38) LMNAKDM4E
SCHEMBL4695949 0.74 TMEM97 (0.33)
SCHEMBL4696418 0.73 KDM4E (0.39) NPBWR1LMNAMCHR1KDM4EHRH3
SCHEMBL4152639 0.71 KDM1A (0.43) NPBWR1LMNAMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP disclosed