SCHEMBL6494641

SCHEMBL6494641

Cc1ccnc(-c2cc(CCCCN)ccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.55
CCR5 P51681 1/20 0.55
CCR8 P51685 1/20 0.55
HRH1 P35367 5/20 0.47
METAP2 P50579 1/20 0.41
KARS1 Q15046 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
FAAH O00519 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.39
CYP2A6 P11509 1/20 0.38
UHRF1 Q96T88 1/20 0.37
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL6699910 0.98 CCR1 (0.53) CCR1CCR5CCR8HRH1METAP2
SCHEMBL7039186 0.95 CCR1 (0.57) CCR1CCR5CCR8HRH1METAP2
Dipyridyl SCHEMBL1923113 0.92 CCR1 (0.46) CCR1CCR5CCR8HRH1KARS1
Dipyridyl SCHEMBL1318097 0.92 CCR1 (0.46) CCR1CCR5CCR8HRH1KARS1
Dipyridyl SCHEMBL5004969 0.90 CCR1 (0.45) CCR1CCR5CCR8HRH1KARS1
Dipyridyl SCHEMBL701722 0.90 CCR1 (0.45) CCR1CCR5CCR8HRH1KARS1
SCHEMBL352289 0.88 CCR1 (0.61) CCR1CCR5CCR8METAP2KARS1
Dipyridyl SCHEMBL3126694 0.85 CCR1 (0.40) CCR1CCR5CCR8HRH1KARS1
SCHEMBL23037127 0.84 CCR1 (0.71) CCR1CCR5CCR8METAP2KARS1
SCHEMBL29693673 0.84 CCR1 (0.71) CCR1CCR5CCR8METAP2KARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916606-B2 Electrochemiluminescent assays BIOVERIS CORPORATION (US) 2005-07-12 US disclosed
US-20050106652-A1 Detecting coliform bacteria in food liquids and/or homogenates; immunoassay BIOVERIS CORPORATION 2005-05-19 US disclosed
US-6703210-B2 MONITORING CONCENTRATION OF PREFERENTIAL PARTICLES IN SAMPLE; LINK HAPTEN AND ANTIGEN, INCUBATE WITH ANTIBODY JOINED TO ELECTRODE, OXIDIZE OR REDUCE COMPLEX, MONITOR EMITTED LIGHT AND EVALUATE CONCENTRATION OF PREFERENTIAL PARTICLES SATAKE CORPORATION (JP) 2004-03-09 US disclosed
WO-2003003008-A1 CHEMICAL LIBRARIES USEFUL FOR DRUG DISCOVERY PROCESSES 7TM PHARMA A/S (DK) 2003-01-09 WO disclosed
WO-2003003009-A1 USE OF METAL-ION CHELATES IN VALIDATING BIOLOGICAL MOLECULES AS DRUG TARGETS IN TEST ANIMAL MODELS 7TM PHARMA A/S (DK) 2003-01-09 WO disclosed
US-20020052051-A1 Method and device for determining concentration of dioxins SATAKE CORPORATION (JP) 2002-05-02 US disclosed
EP-0658564-B1 Electroluminescent compounds and intermediates in their synthesis IGEN INT INC (US) 2002-01-16 EP disclosed
US-6316607-B1 AS LABLES IN DETECTING AND QUANTIFYING CHEMICAL, BIOCHEMICAL, AND BIOLOGICAL SUBSTANCES, DRUGS, METABOLITES, MICROORGANISMS IGEN INTERNATIONAL, INC. 2001-11-13 US disclosed
EP-0265519-B1 ELECTROCHEMILUMINESCENT ASSAYS IGEN INC (US) 1995-09-13 EP disclosed
EP-0658564-A1 Electroluminescent compounds and intermediates in their synthesis IGEN, INC. (US) 1995-06-21 EP disclosed
EP-0647849-A2 Detecting the presence of analytes in a sample IGEN, INC. (US) 1995-04-12 EP disclosed
EP-0265519-A4 ELECTROCHEMILUMINESCENT ASSAYS. IGEN INC (US) 1990-05-14 EP disclosed
EP-0265519-A1 ELECTROCHEMILUMINESCENT ASSAYS. IGEN INC (US) 1988-05-04 EP disclosed
WO-1987006706-A1 ELECTROCHEMILUMINESCENT ASSAYS IGEN, INC. (US) 1987-11-05 WO disclosed