SCHEMBL13280554

SCHEMBL13280554

c1c[nH]c(CNCCNCc2ccc[nH]2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
SCN4A P35499 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL13280691 0.91 CA12 (0.39) MAOASLC6A2SLC6A4CA12CA2
SCHEMBL31703898 0.90 MAOA (0.38) MAOASLC6A2SLC6A4DRD2DRD4
SCHEMBL1230828 0.87 MC4R (0.41) MEN1KMT2ATDP1MAOASLC6A2
SCHEMBL11270154 0.82
SCHEMBL28677353 0.79 MEN1 (0.50) MEN1KMT2ATDP1MAOAHRH4
SCHEMBL23336573 0.78 MAOA (0.51) MAOASLC6A2SLC6A4
SCHEMBL22593354 0.78
SCHEMBL1097942 0.78
SCHEMBL18196906 0.78 HTR1A (0.38) MEN1KMT2ASLC6A2SLC6A4
SCHEMBL29845184 0.76 SLC6A2 (0.36) KMT2ATDP1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697347-B1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES FIRMENICH & CIE (CH) 2016-11-16 EP disclosed
US-9212335-B2 Equilibrated dynamic mixtures to control the release of perfuming aldehydes and ketones FIRMENICH SA (CH) 2015-12-15 US disclosed
EP-2697347-A1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES Firmenich SA (CH) 2014-02-19 EP disclosed
US-20140038873-A1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES FIRMENICH SA (CH) 2014-02-06 US disclosed
WO-2012139912-A1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES FIRMENICH SA (CH) 2012-10-18 WO disclosed