SCHEMBL1809141

SCHEMBL1809141

C=Cc1ccc(CN2CCNCCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 13/20 0.62
HRH3 Q9Y5N1 2/20 0.62
MEN1 O00255 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
ADRA2C P18825 1/20 0.62
CCR2 P41597 1/20 0.62
CXCL12 P48061 1/20 0.62
BLM P54132 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
SIGMAR1 Q99720 1/20 0.58
CRBN Q96SW2 1/20 0.43

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
SCHEMBL18038933 1.00 CXCR4 (0.62) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL6081959 0.98 SIGMAR1 (0.59) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL6082242 0.97 CXCR4 (0.60) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL7744895 0.97 SIGMAR1 (0.58) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL6082069 0.97 CXCR4 (0.60) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL688144 0.92 CXCR4 (0.77) CXCR4HRH3MEN1CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL19950944 0.86 SLC2A1 (0.49) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL4870263 0.85 HRH3 (0.52) CXCR4HRH3MEN1KMT2ASIGMAR1
SCHEMBL18503098 0.85 HRH3 (0.52) CXCR4HRH3MEN1KMT2ASIGMAR1
SCHEMBL608338 0.85 HRH3 (0.52) CXCR4HRH3MEN1KMT2ASIGMAR1

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-2499492-B1 OPTICAL SENSOR EMD MILLIPORE CORP (US) 2016-04-20 EP disclosed
US-9316579-B2 Method and apparatus for optical sensing using an optical sensor including a leaky mode waveguide EMD MILLIPORE CORPORATION (US) 2016-04-19 US disclosed
US-20130119242-A1 OPTICAL SENSOR EMD MILLIPORE CORPORATION (US) 2013-05-16 US disclosed
EP-2499492-A1 OPTICAL SENSOR EMD Millipore Corporation (US) 2012-09-19 EP disclosed
WO-2011058308-A1 OPTICAL SENSOR MILLIPORE CORPORATION (US) 2011-05-19 WO disclosed
EP-0983511-A4 SENSORS FOR SUGARS AND OTHER METAL BINDING ANALYTES CALIFORNIA INST OF TECHN (US) 2001-12-05 EP disclosed
US-6063637-A SENSING MATERIAL OF METAL COMPLEXES HAVING AT LEAST TWO COORDINATION SITES FOR BINDING TARGET AND A DETECTOR FOR MEASURING THE PROTONS OR HYDROXIDE IONS RELEASED FROM THE SENSING MATERIAL WHEN ANALYTE IS BOUND CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-05-16 US disclosed
EP-0983511-A1 SENSORS FOR SUGARS AND OTHER METAL BINDING ANALYTES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-03-08 EP disclosed
WO-1997033177-A1 SENSORS FOR SUGARS AND OTHER METAL BINDING ANALYTES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-09-12 WO disclosed
WO-1997005489-A1 SOLUBLE AND POLYMERIC METAL COMPLEXING MATERIALS FOR MEASUREMENT OF SUGARS AND RELATED MOLECULES IN SOLUTION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-02-13 WO disclosed